N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide

C20H31N3O2 — CID 97476595

IUPACN-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC[C@@H]1CCC[C@]2(CCN(C3CCCC3)C2)O1
InChIInChI=1S/C20H31N3O2/c1-22-12-5-9-18(22)19(24)21-14-17-8-4-10-20(25-17)11-13-23(15-20)16-6-2-3-7-16/h5,9,12,16-17H,2-4,6-8,10-11,13-15H2,1H3,(H,21,24)/t17-,20+/m0/s1
InChIKeyJLYYKCJSSLIQTC-FXAWDEMLSA-N
MW345.49 g/mol
LogP2.71
Rot. Bonds4

About N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 97476595) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID97476595
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC[C@@H]1CCC[C@]2(CCN(C3CCCC3)C2)O1
InChIInChI=1S/C20H31N3O2/c1-22-12-5-9-18(22)19(24)21-14-17-8-4-10-20(25-17)11-13-23(15-20)16-6-2-3-7-16/h5,9,12,16-17H,2-4,6-8,10-11,13-15H2,1H3,(H,21,24)/t17-,20+/m0/s1
InChIKeyJLYYKCJSSLIQTC-FXAWDEMLSA-N
XLogP2.71
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(5S,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816768
N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155855697
N-[[(5R,7R)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155852719
N-[[(5S,7R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide
CID 124803680
N-[2-[(8R)-2-cyclopentyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124815544
N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
CID 97476591
N-[[(5R,7R)-2-(cyclopropylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 97476193
N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 124781029
N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 154874096
(5S,7S)-2-cyclobutyl-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane
CID 124811490
N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 166434437
N-[[(5R,7S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155847855

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 97476595) is N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC[C@@H]1CCC[C@]2(CCN(C3CCCC3)C2)O1.
What is the InChIKey of N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is JLYYKCJSSLIQTC-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22-12-5-9-18(22)19(24)21-14-17-8-4-10-20(25-17)11-13-23(15-20)16-6-2-3-7-16/h5,9,12,16-17H,2-4,6-8,10-11,13-15H2,1H3,(H,21,24)/t17-,20+/m0/s1.
What are the key properties of N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97476595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).