N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide

C15H27N3O2 — CID 81044384

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCC(=O)NC1CC1)C1CCCNC1
InChIInChI=1S/C15H27N3O2/c1-11(12-3-2-7-16-10-12)9-15(20)17-8-6-14(19)18-13-4-5-13/h11-13,16H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyVNBGBQXGCSTQHF-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.80
Rot. Bonds7

About N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide

N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide (PubChem CID 81044384) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
PubChem CID81044384
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCC(=O)NC1CC1)C1CCCNC1
InChIInChI=1S/C15H27N3O2/c1-11(12-3-2-7-16-10-12)9-15(20)17-8-6-14(19)18-13-4-5-13/h11-13,16H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyVNBGBQXGCSTQHF-UHFFFAOYSA-N
XLogP0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849539
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119701805
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide (CID 81044384) is N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCCC(=O)NC1CC1)C1CCCNC1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide?
The InChIKey is VNBGBQXGCSTQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(12-3-2-7-16-10-12)9-15(20)17-8-6-14(19)18-13-4-5-13/h11-13,16H,2-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide has a molecular weight of 281.40 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81044384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).