(3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide

C19H20BrClN2O2 — CID 93224012

IUPAC(3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC[C@H](OCc2ccc(Br)cc2)C1
InChIInChI=1S/C19H20BrClN2O2/c20-15-8-6-14(7-9-15)13-25-18-5-2-10-23(12-18)19(24)22-17-4-1-3-16(21)11-17/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,22,24)/t18-/m0/s1
InChIKeyPYZIBMWQPOUVLZ-SFHVURJKSA-N
MW423.74 g/mol
LogP5.32
Rot. Bonds4

About (3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide

(3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide (PubChem CID 93224012) has the molecular formula C19H20BrClN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is (3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide
PubChem CID93224012
Molecular FormulaC19H20BrClN2O2
Molecular Weight423.74 g/mol
Exact Mass422.04
IUPAC Name(3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC[C@H](OCc2ccc(Br)cc2)C1
InChIInChI=1S/C19H20BrClN2O2/c20-15-8-6-14(7-9-15)13-25-18-5-2-10-23(12-18)19(24)22-17-4-1-3-16(21)11-17/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,22,24)/t18-/m0/s1
InChIKeyPYZIBMWQPOUVLZ-SFHVURJKSA-N
XLogP5.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.74
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-chlorophenyl)-3-[(3-fluorophenyl)methoxy]piperidine-1-carboxamide
CID 93224006
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223391
[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone
CID 46028831
(3-chlorophenyl)-[(3S)-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223760
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide (CID 93224012) is (3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC[C@H](OCc2ccc(Br)cc2)C1.
What is the InChIKey of (3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is PYZIBMWQPOUVLZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20BrClN2O2/c20-15-8-6-14(7-9-15)13-25-18-5-2-10-23(12-18)19(24)22-17-4-1-3-16(21)11-17/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,22,24)/t18-/m0/s1.
What are the key properties of (3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide?
(3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 423.74 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 93224012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).