N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide

C16H27N3O — CID 13306778

IUPACN-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide
SMILESCCCCN1CCC(N(C(=O)CC)n2cccc2)CC1
InChIInChI=1S/C16H27N3O/c1-3-5-10-17-13-8-15(9-14-17)19(16(20)4-2)18-11-6-7-12-18/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3
InChIKeyKGLGKYHBHLLODH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.63
Rot. Bonds6

About N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide

N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide (PubChem CID 13306778) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide
PubChem CID13306778
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide
SMILESCCCCN1CCC(N(C(=O)CC)n2cccc2)CC1
InChIInChI=1S/C16H27N3O/c1-3-5-10-17-13-8-15(9-14-17)19(16(20)4-2)18-11-6-7-12-18/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3
InChIKeyKGLGKYHBHLLODH-UHFFFAOYSA-N
XLogP2.63
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
1-octylpiperidin-4-ol
CID 62022103
N-butyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 142122170
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-octadecylpiperidine-4-carboxamide
CID 4134920
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
4-fluoro-1-octylpiperidine
CID 130358850
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide (CID 13306778) is N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide is CCCCN1CCC(N(C(=O)CC)n2cccc2)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide?
The InChIKey is KGLGKYHBHLLODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-5-10-17-13-8-15(9-14-17)19(16(20)4-2)18-11-6-7-12-18/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3.
What are the key properties of N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide?
N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide is sourced from PubChem (CID 13306778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).