(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C19H31N3O2 — CID 100649268

IUPAC(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1)=C1CCCC1
InChIInChI=1S/C19H31N3O2/c1-14(16-7-2-3-8-16)19(24)22-11-5-6-15(13-22)12-21-18(23)17-9-4-10-20-17/h15,17,20H,2-13H2,1H3,(H,21,23)/t15-,17-/m1/s1
InChIKeyZUSCDAOOSQUPPC-NVXWUHKLSA-N
MW333.48 g/mol
LogP1.98
Rot. Bonds4

About (2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 100649268) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID100649268
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1)=C1CCCC1
InChIInChI=1S/C19H31N3O2/c1-14(16-7-2-3-8-16)19(24)22-11-5-6-15(13-22)12-21-18(23)17-9-4-10-20-17/h15,17,20H,2-13H2,1H3,(H,21,23)/t15-,17-/m1/s1
InChIKeyZUSCDAOOSQUPPC-NVXWUHKLSA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124692085
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
(2S)-N-[[(3R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124698807
(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649892
(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-(4-acetamido-3-methylphenyl)-3-[(pyrrolidine-2-carbonylamino)methyl]piperidine-1-carboxamide
CID 166402158
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 166298536

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 100649268) is (2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is CC(C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1)=C1CCCC1.
What is the InChIKey of (2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZUSCDAOOSQUPPC-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(16-7-2-3-8-16)19(24)22-11-5-6-15(13-22)12-21-18(23)17-9-4-10-20-17/h15,17,20H,2-13H2,1H3,(H,21,23)/t15-,17-/m1/s1.
What are the key properties of (2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 100649268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).