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

C15H27N3O2 — CID 124574195

IUPAC(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C15H27N3O2/c1-2-5-14(19)18-9-4-6-12(11-18)10-17-15(20)13-7-3-8-16-13/h12-13,16H,2-11H2,1H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyALZCMSODPXXBAZ-CHWSQXEVSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds5

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

(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 124574195) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID124574195
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C15H27N3O2/c1-2-5-14(19)18-9-4-6-12(11-18)10-17-15(20)13-7-3-8-16-13/h12-13,16H,2-11H2,1H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyALZCMSODPXXBAZ-CHWSQXEVSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
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(2S)-N-[[(3R)-1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649493
(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-[[(3S)-1-[(1S,2R,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
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(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
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(2S)-N-[[(3R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124698807
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649892
N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 124574195) is (2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide is CCCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1.
What is the InChIKey of (2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ALZCMSODPXXBAZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-5-14(19)18-9-4-6-12(11-18)10-17-15(20)13-7-3-8-16-13/h12-13,16H,2-11H2,1H3,(H,17,20)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124574195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).