N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C15H30ClN3O2 — CID 119687970

IUPACN-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(C)C(=O)NCCNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-11(2)15(20)18-8-7-17-14(19)9-12(3)13-5-4-6-16-10-13;/h11-13,16H,4-10H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyPGLITMCMGFYSHD-UHFFFAOYSA-N
MW319.88 g/mol
LogP1.32
Rot. Bonds7

About N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119687970) has the molecular formula C15H30ClN3O2 and a molecular weight of 319.88 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119687970
Molecular FormulaC15H30ClN3O2
Molecular Weight319.88 g/mol
Exact Mass319.20
IUPAC NameN-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(C)C(=O)NCCNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-11(2)15(20)18-8-7-17-14(19)9-12(3)13-5-4-6-16-10-13;/h11-13,16H,4-10H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyPGLITMCMGFYSHD-UHFFFAOYSA-N
XLogP1.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723723
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119687970) is N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(C)C(=O)NCCNC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is PGLITMCMGFYSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.ClH/c1-11(2)15(20)18-8-7-17-14(19)9-12(3)13-5-4-6-16-10-13;/h11-13,16H,4-10H2,1-3H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119687970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).