N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide

C19H35N3O2 — CID 119761643

IUPACN-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C19H35N3O2/c1-3-6-18(23)21-12-16-7-5-10-22(14-16)19(24)11-15(2)17-8-4-9-20-13-17/h15-17,20H,3-14H2,1-2H3,(H,21,23)
InChIKeyBQNGDVGZDJXBSJ-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.17
Rot. Bonds7

About N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide

N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide (PubChem CID 119761643) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide
PubChem CID119761643
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C19H35N3O2/c1-3-6-18(23)21-12-16-7-5-10-22(14-16)19(24)11-15(2)17-8-4-9-20-13-17/h15-17,20H,3-14H2,1-2H3,(H,21,23)
InChIKeyBQNGDVGZDJXBSJ-UHFFFAOYSA-N
XLogP2.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 119722485
N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119762851
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119894711
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide (CID 119761643) is N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NCC1CCCN(C(=O)CC(C)C2CCCNC2)C1.
What is the InChIKey of N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is BQNGDVGZDJXBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-3-6-18(23)21-12-16-7-5-10-22(14-16)19(24)11-15(2)17-8-4-9-20-13-17/h15-17,20H,3-14H2,1-2H3,(H,21,23).
What are the key properties of N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide?
N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 337.51 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 119761643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).