N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide

C18H29N5O2 — CID 125239207

IUPACN-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide
SMILESCn1cc(CN2CC[C@]3(C[C@H](NC(=O)N4CCCC4)CCO3)C2)cn1
InChIInChI=1S/C18H29N5O2/c1-21-12-15(11-19-21)13-22-8-5-18(14-22)10-16(4-9-25-18)20-17(24)23-6-2-3-7-23/h11-12,16H,2-10,13-14H2,1H3,(H,20,24)/t16-,18+/m1/s1
InChIKeySOVCQGSSKKHADE-AEFFLSMTSA-N
MW347.46 g/mol
LogP1.35
Rot. Bonds3

About N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide

N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide (PubChem CID 125239207) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide
PubChem CID125239207
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide
SMILESCn1cc(CN2CC[C@]3(C[C@H](NC(=O)N4CCCC4)CCO3)C2)cn1
InChIInChI=1S/C18H29N5O2/c1-21-12-15(11-19-21)13-22-8-5-18(14-22)10-16(4-9-25-18)20-17(24)23-6-2-3-7-23/h11-12,16H,2-10,13-14H2,1H3,(H,20,24)/t16-,18+/m1/s1
InChIKeySOVCQGSSKKHADE-AEFFLSMTSA-N
XLogP1.35
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5S,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124822025
1-methyl-N-[(5S,9S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124820308
1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124815429
[(2R)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383858
1,1-dimethyl-3-[(5R,9S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]urea
CID 97476683
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98777995
(3S,5S)-7-[(1-methylpyrazol-4-yl)methyl]-N-phenyl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124521701
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 97485296
7-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076709
N-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076704
N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476036
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371823

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide (CID 125239207) is N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide is Cn1cc(CN2CC[C@]3(C[C@H](NC(=O)N4CCCC4)CCO3)C2)cn1.
What is the InChIKey of N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide?
The InChIKey is SOVCQGSSKKHADE-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21-12-15(11-19-21)13-22-8-5-18(14-22)10-16(4-9-25-18)20-17(24)23-6-2-3-7-23/h11-12,16H,2-10,13-14H2,1H3,(H,20,24)/t16-,18+/m1/s1.
What are the key properties of N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide?
N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 125239207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).