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

C22H33BrN2O2 — CID 143888439

IUPACN-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESCCOCCCc1cc(CN(C(=O)C2CCCNC2)C2CC2)cc(Br)c1C
InChIInChI=1S/C22H33BrN2O2/c1-3-27-11-5-7-18-12-17(13-21(23)16(18)2)15-25(20-8-9-20)22(26)19-6-4-10-24-14-19/h12-13,19-20,24H,3-11,14-15H2,1-2H3
InChIKeyLFKDNVKPZRVGNB-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.22
Rot. Bonds9

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

N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 143888439) has the molecular formula C22H33BrN2O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID143888439
Molecular FormulaC22H33BrN2O2
Molecular Weight437.42 g/mol
Exact Mass436.17
IUPAC NameN-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESCCOCCCc1cc(CN(C(=O)C2CCCNC2)C2CC2)cc(Br)c1C
InChIInChI=1S/C22H33BrN2O2/c1-3-27-11-5-7-18-12-17(13-21(23)16(18)2)15-25(20-8-9-20)22(26)19-6-4-10-24-14-19/h12-13,19-20,24H,3-11,14-15H2,1-2H3
InChIKeyLFKDNVKPZRVGNB-UHFFFAOYSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 70952997
N-[[3-bromo-5-(3-methoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide;1,4-dimethylpyridin-2-one
CID 143888508
N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide
CID 143888515
N-[[3-bromo-5-(3-methoxypropyl)-4-methylphenyl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide;hydrochloride
CID 66896692
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
(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-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
(3R)-N-cyclopropyl-N-[[3-(2-methoxyethyl)naphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 70952975
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55149693
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide (CID 143888439) is N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide is CCOCCCc1cc(CN(C(=O)C2CCCNC2)C2CC2)cc(Br)c1C.
What is the InChIKey of N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is LFKDNVKPZRVGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33BrN2O2/c1-3-27-11-5-7-18-12-17(13-21(23)16(18)2)15-25(20-8-9-20)22(26)19-6-4-10-24-14-19/h12-13,19-20,24H,3-11,14-15H2,1-2H3.
What are the key properties of N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 143888439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).