N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide

C30H52Br2N4O2 — CID 67873605

IUPACN-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide
SMILESBr.Br.CCCCN(C)C(=O)C1CCCN(C(c2ccc(C)cc2)N2CCCC(C(=O)N(C)CCCC)C2)C1
InChIInChI=1S/C30H50N4O2.2BrH/c1-6-8-18-31(4)29(35)26-12-10-20-33(22-26)28(25-16-14-24(3)15-17-25)34-21-11-13-27(23-34)30(36)32(5)19-9-7-2;;/h14-17,26-28H,6-13,18-23H2,1-5H3;2*1H
InChIKeyZNETTYQARDDHNQ-UHFFFAOYSA-N
MW660.58 g/mol
LogP6.09
Rot. Bonds11

About N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide

N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide (PubChem CID 67873605) has the molecular formula C30H52Br2N4O2 and a molecular weight of 660.58 g/mol. Its IUPAC name is N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide.

Molecular Properties

Compound NameN-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide
PubChem CID67873605
Molecular FormulaC30H52Br2N4O2
Molecular Weight660.58 g/mol
Exact Mass658.25
IUPAC NameN-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide
SMILESBr.Br.CCCCN(C)C(=O)C1CCCN(C(c2ccc(C)cc2)N2CCCC(C(=O)N(C)CCCC)C2)C1
InChIInChI=1S/C30H50N4O2.2BrH/c1-6-8-18-31(4)29(35)26-12-10-20-33(22-26)28(25-16-14-24(3)15-17-25)34-21-11-13-27(23-34)30(36)32(5)19-9-7-2;;/h14-17,26-28H,6-13,18-23H2,1-5H3;2*1H
InChIKeyZNETTYQARDDHNQ-UHFFFAOYSA-N
XLogP6.09
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.58
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide 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

(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055757
N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 10257104
3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide
CID 70730280
N,1-dimethyl-N-octylpiperidine-3-carboxamide
CID 14306886
(3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92706767
N,N-dibutyl-1-[2-[3-(dibutylcarbamoyl)piperidin-1-yl]-3,6-dimethylphenyl]piperidine-3-carboxamide;dihydrobromide
CID 67872951
N-butyl-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 78900799
(3R)-N-butyl-N-methyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055782
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide
CID 91270181
ethyl 1-[cyano-(4-methylphenyl)methyl]piperidine-3-carboxylate
CID 84756609
N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55862816

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide?
The IUPAC name of N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide (CID 67873605) is N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide.
What is the SMILES notation for N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide?
The canonical SMILES for N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide is Br.Br.CCCCN(C)C(=O)C1CCCN(C(c2ccc(C)cc2)N2CCCC(C(=O)N(C)CCCC)C2)C1.
What is the InChIKey of N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide?
The InChIKey is ZNETTYQARDDHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N4O2.2BrH/c1-6-8-18-31(4)29(35)26-12-10-20-33(22-26)28(25-16-14-24(3)15-17-25)34-21-11-13-27(23-34)30(36)32(5)19-9-7-2;;/h14-17,26-28H,6-13,18-23H2,1-5H3;2*1H.
What are the key properties of N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide?
N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide has a molecular weight of 660.58 g/mol, XLogP of 6.09, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide is sourced from PubChem (CID 67873605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).