(3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide

C20H29BrN2O2 — CID 70952997

IUPAC(3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESCc1c(Br)cc(CN(C(=O)[C@@H]2CCCNC2)C2CC2)cc1CCCO
InChIInChI=1S/C20H29BrN2O2/c1-14-16(5-3-9-24)10-15(11-19(14)21)13-23(18-6-7-18)20(25)17-4-2-8-22-12-17/h10-11,17-18,22,24H,2-9,12-13H2,1H3/t17-/m1/s1
InChIKeyDIPVUDWLLNWJKA-QGZVFWFLSA-N
MW409.37 g/mol
LogP3.17
Rot. Bonds7

About (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide

(3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 70952997) has the molecular formula C20H29BrN2O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID70952997
Molecular FormulaC20H29BrN2O2
Molecular Weight409.37 g/mol
Exact Mass408.14
IUPAC Name(3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESCc1c(Br)cc(CN(C(=O)[C@@H]2CCCNC2)C2CC2)cc1CCCO
InChIInChI=1S/C20H29BrN2O2/c1-14-16(5-3-9-24)10-15(11-19(14)21)13-23(18-6-7-18)20(25)17-4-2-8-22-12-17/h10-11,17-18,22,24H,2-9,12-13H2,1H3/t17-/m1/s1
InChIKeyDIPVUDWLLNWJKA-QGZVFWFLSA-N
XLogP3.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 143888439
N-[[3-bromo-5-(3-methoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide;1,4-dimethylpyridin-2-one
CID 143888508
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-[[3-bromo-5-(3-methoxypropyl)-4-methylphenyl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide;hydrochloride
CID 66896692
N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide
CID 143888515
N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55149693
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
(3S,4R)-N-[[3-bromo-5-[3-(difluoromethoxy)propyl]-4-methylphenyl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 66897037
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 54872044
(3R)-N-cyclopropyl-N-[[3-(2-methoxyethyl)naphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 70952975

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide (CID 70952997) is (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide is Cc1c(Br)cc(CN(C(=O)[C@@H]2CCCNC2)C2CC2)cc1CCCO.
What is the InChIKey of (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is DIPVUDWLLNWJKA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29BrN2O2/c1-14-16(5-3-9-24)10-15(11-19(14)21)13-23(18-6-7-18)20(25)17-4-2-8-22-12-17/h10-11,17-18,22,24H,2-9,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
(3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 70952997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).