1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide

C16H29N3O2 — CID 119555252

IUPAC1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)NCCC1CCCNC1
InChIInChI=1S/C16H29N3O2/c1-2-5-15(20)19-11-4-7-14(19)16(21)18-10-8-13-6-3-9-17-12-13/h13-14,17H,2-12H2,1H3,(H,18,21)
InChIKeyMRXLMNDCJLFRBV-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.28
Rot. Bonds6

About 1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide

1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 119555252) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
PubChem CID119555252
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)NCCC1CCCNC1
InChIInChI=1S/C16H29N3O2/c1-2-5-15(20)19-11-4-7-14(19)16(21)18-10-8-13-6-3-9-17-12-13/h13-14,17H,2-12H2,1H3,(H,18,21)
InChIKeyMRXLMNDCJLFRBV-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119555253
1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119533681
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119557113
1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119535072
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-(adamantane-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119537044
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 120555744
1-acetyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555744
3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119536892
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide (CID 119555252) is 1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide is CCCC(=O)N1CCCC1C(=O)NCCC1CCCNC1.
What is the InChIKey of 1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is MRXLMNDCJLFRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-5-15(20)19-11-4-7-14(19)16(21)18-10-8-13-6-3-9-17-12-13/h13-14,17H,2-12H2,1H3,(H,18,21).
What are the key properties of 1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide?
1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119555252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).