N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide

C19H37N3O — CID 119866856

IUPACN-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide
SMILESCCCCN1CCCCC1CNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C19H37N3O/c1-3-4-12-22-13-6-5-7-18(22)15-21-19(23)14-16(2)17-8-10-20-11-9-17/h16-18,20H,3-15H2,1-2H3,(H,21,23)
InChIKeyGGBIDKKKHIYRAD-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.78
Rot. Bonds8

About N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide

N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119866856) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide
PubChem CID119866856
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC NameN-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide
SMILESCCCCN1CCCCC1CNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C19H37N3O/c1-3-4-12-22-13-6-5-7-18(22)15-21-19(23)14-16(2)17-8-10-20-11-9-17/h16-18,20H,3-15H2,1-2H3,(H,21,23)
InChIKeyGGBIDKKKHIYRAD-UHFFFAOYSA-N
XLogP2.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438758
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862726
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885145
3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide
CID 119890481
1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506154
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide
CID 119675581
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride
CID 119682326
1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122001414

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide (CID 119866856) is N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide is CCCCN1CCCCC1CNC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is GGBIDKKKHIYRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-3-4-12-22-13-6-5-7-18(22)15-21-19(23)14-16(2)17-8-10-20-11-9-17/h16-18,20H,3-15H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide?
N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 323.53 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119866856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).