(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C17H29N3O2 — CID 124700133

IUPAC(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)C2CCCC2)C1)[C@@H]1CCCN1
InChIInChI=1S/C17H29N3O2/c21-16(15-8-3-9-18-15)19-11-13-5-4-10-20(12-13)17(22)14-6-1-2-7-14/h13-15,18H,1-12H2,(H,19,21)/t13-,15-/m0/s1
InChIKeyKKBDOQXAVLHXEK-ZFWWWQNUSA-N
MW307.44 g/mol
LogP1.28
Rot. Bonds4

About (2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 124700133) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID124700133
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)C2CCCC2)C1)[C@@H]1CCCN1
InChIInChI=1S/C17H29N3O2/c21-16(15-8-3-9-18-15)19-11-13-5-4-10-20(12-13)17(22)14-6-1-2-7-14/h13-15,18H,1-12H2,(H,19,21)/t13-,15-/m0/s1
InChIKeyKKBDOQXAVLHXEK-ZFWWWQNUSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[(3S)-1-[(1S,2R,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124864363
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556934
(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124574195
N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119289763
(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124692085
(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649268
N-[[1-(4,4-dimethylpent-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126817372
(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649814
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
(2S)-N-[[(3R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124698807
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54927244

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 124700133) is (2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is O=C(NC[C@@H]1CCCN(C(=O)C2CCCC2)C1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is KKBDOQXAVLHXEK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16(15-8-3-9-18-15)19-11-13-5-4-10-20(12-13)17(22)14-6-1-2-7-14/h13-15,18H,1-12H2,(H,19,21)/t13-,15-/m0/s1.
What are the key properties of (2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124700133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).