N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride

C16H32ClN3O2 — CID 110012441

IUPACN-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCCCCN2CCCC2CO)CCCNC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-16(7-5-8-17-13-16)15(21)18-9-2-3-10-19-11-4-6-14(19)12-20;/h14,17,20H,2-13H2,1H3,(H,18,21);1H
InChIKeyMBSLQCQBMKIOGS-UHFFFAOYSA-N
MW333.90 g/mol
LogP1.15
Rot. Bonds7

About N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride

N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 110012441) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID110012441
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC NameN-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCCCCN2CCCC2CO)CCCNC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-16(7-5-8-17-13-16)15(21)18-9-2-3-10-19-11-4-6-14(19)12-20;/h14,17,20H,2-13H2,1H3,(H,18,21);1H
InChIKeyMBSLQCQBMKIOGS-UHFFFAOYSA-N
XLogP1.15
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;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-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63138600
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
[(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol
CID 97231893
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 103950559
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride (CID 110012441) is N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride is CC1(C(=O)NCCCCN2CCCC2CO)CCCNC1.Cl.
What is the InChIKey of N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is MBSLQCQBMKIOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-16(7-5-8-17-13-16)15(21)18-9-2-3-10-19-11-4-6-14(19)12-20;/h14,17,20H,2-13H2,1H3,(H,18,21);1H.
What are the key properties of N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110012441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).