N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride

C16H30ClN3O2 — CID 119728333

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCC(=O)NC1CC1)C1CCCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-12(13-4-2-8-17-11-13)10-16(21)18-9-3-5-15(20)19-14-6-7-14;/h12-14,17H,2-11H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyGUFJCGFJJQKUGW-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.61
Rot. Bonds8

About N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119728333) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119728333
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCC(=O)NC1CC1)C1CCCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-12(13-4-2-8-17-11-13)10-16(21)18-9-3-5-15(20)19-14-6-7-14;/h12-14,17H,2-11H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyGUFJCGFJJQKUGW-UHFFFAOYSA-N
XLogP1.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119701805
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119728333) is N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCCCC(=O)NC1CC1)C1CCCNC1.Cl.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is GUFJCGFJJQKUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-12(13-4-2-8-17-11-13)10-16(21)18-9-3-5-15(20)19-14-6-7-14;/h12-14,17H,2-11H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119728333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).