(6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C19H30N4O2 — CID 97360923

IUPAC(6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1
InChIInChI=1S/C19H30N4O2/c1-3-22(4-2)17(24)16-14-23-12-9-20-18(23)19(25-16)7-10-21(11-8-19)13-15-5-6-15/h9,12,15-16H,3-8,10-11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyLFWPVVJNEUSHNI-INIZCTEOSA-N
MW346.48 g/mol
LogP1.85
Rot. Bonds5

About (6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97360923) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97360923
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1
InChIInChI=1S/C19H30N4O2/c1-3-22(4-2)17(24)16-14-23-12-9-20-18(23)19(25-16)7-10-21(11-8-19)13-15-5-6-15/h9,12,15-16H,3-8,10-11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyLFWPVVJNEUSHNI-INIZCTEOSA-N
XLogP1.85
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97360923) is (6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1.
What is the InChIKey of (6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is LFWPVVJNEUSHNI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-22(4-2)17(24)16-14-23-12-9-20-18(23)19(25-16)7-10-21(11-8-19)13-15-5-6-15/h9,12,15-16H,3-8,10-11,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97360923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).