1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide

C16H29N3O2 — CID 120555744

IUPAC1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
SMILESCCCC(=O)N1CCCCC1C(=O)NC1CCNCC1C
InChIInChI=1S/C16H29N3O2/c1-3-6-15(20)19-10-5-4-7-14(19)16(21)18-13-8-9-17-11-12(13)2/h12-14,17H,3-11H2,1-2H3,(H,18,21)
InChIKeyYDZDZZTVEMZKHZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.28
Rot. Bonds4

About 1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide

1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide (PubChem CID 120555744) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
PubChem CID120555744
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
SMILESCCCC(=O)N1CCCCC1C(=O)NC1CCNCC1C
InChIInChI=1S/C16H29N3O2/c1-3-6-15(20)19-10-5-4-7-14(19)16(21)18-13-8-9-17-11-12(13)2/h12-14,17H,3-11H2,1-2H3,(H,18,21)
InChIKeyYDZDZZTVEMZKHZ-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120556752
1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119555253
N-(3-methylpiperidin-4-yl)cyclohexanecarboxamide;hydrochloride
CID 120557474
1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119533681
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 120945107
N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120557816
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 120556975
tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
CID 139635911
1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119555252
N-(3-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 79886370

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide?
The IUPAC name of 1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide (CID 120555744) is 1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide is CCCC(=O)N1CCCCC1C(=O)NC1CCNCC1C.
What is the InChIKey of 1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide?
The InChIKey is YDZDZZTVEMZKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-6-15(20)19-10-5-4-7-14(19)16(21)18-13-8-9-17-11-12(13)2/h12-14,17H,3-11H2,1-2H3,(H,18,21).
What are the key properties of 1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide?
1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide has a molecular weight of 295.43 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 1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 120555744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).