(6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C20H30N6O2 — CID 97440436

IUPAC(6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cnn(C)c3)CC2)O1
InChIInChI=1S/C20H30N6O2/c1-4-25(5-2)18(27)17-15-26-11-8-21-19(26)20(28-17)6-9-24(10-7-20)14-16-12-22-23(3)13-16/h8,11-13,17H,4-7,9-10,14-15H2,1-3H3/t17-/m0/s1
InChIKeyPKVGTTCBJKVKHG-KRWDZBQOSA-N
MW386.50 g/mol
LogP1.38
Rot. Bonds5

About (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97440436) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97440436
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name(6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cnn(C)c3)CC2)O1
InChIInChI=1S/C20H30N6O2/c1-4-25(5-2)18(27)17-15-26-11-8-21-19(26)20(28-17)6-9-24(10-7-20)14-16-12-22-23(3)13-16/h8,11-13,17H,4-7,9-10,14-15H2,1-3H3/t17-/m0/s1
InChIKeyPKVGTTCBJKVKHG-KRWDZBQOSA-N
XLogP1.38
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide with MolForge

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Related Compounds

(6S)-N,N-diethyl-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360891
(6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360923
(6R)-N,N-diethyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360886
N,N-diethyl-1'-(5-fluoropyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131656579
(6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360915
N,N-diethyl-1'-(1-methylimidazol-4-yl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155856754
(6R)-N,N-diethyl-1'-(3-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440417
morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
CID 131656590
[(6R)-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
CID 97401296
[1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone
CID 155900446
1'-(2-fluoroethyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118739812
N,N-diethyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155837859

Frequently Asked Questions

What is the IUPAC name of (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97440436) is (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cnn(C)c3)CC2)O1.
What is the InChIKey of (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is PKVGTTCBJKVKHG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-4-25(5-2)18(27)17-15-26-11-8-21-19(26)20(28-17)6-9-24(10-7-20)14-16-12-22-23(3)13-16/h8,11-13,17H,4-7,9-10,14-15H2,1-3H3/t17-/m0/s1.
What are the key properties of (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97440436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).