(3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide

C27H28ClN3O — CID 38104218

IUPAC(3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)ccc21
InChIInChI=1S/C27H28ClN3O/c1-2-31-25-12-6-4-10-22(25)23-16-21(13-14-26(23)31)29-27(32)20-9-7-15-30(18-20)17-19-8-3-5-11-24(19)28/h3-6,8,10-14,16,20H,2,7,9,15,17-18H2,1H3,(H,29,32)/t20-/m0/s1
InChIKeyYGGWKOAFXHPMOS-FQEVSTJZSA-N
MW445.99 g/mol
LogP6.32
Rot. Bonds5

About (3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide

(3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide (PubChem CID 38104218) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is (3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
PubChem CID38104218
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC Name(3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)ccc21
InChIInChI=1S/C27H28ClN3O/c1-2-31-25-12-6-4-10-22(25)23-16-21(13-14-26(23)31)29-27(32)20-9-7-15-30(18-20)17-19-8-3-5-11-24(19)28/h3-6,8,10-14,16,20H,2,7,9,15,17-18H2,1H3,(H,29,32)/t20-/m0/s1
InChIKeyYGGWKOAFXHPMOS-FQEVSTJZSA-N
XLogP6.32
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.99
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43926053
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
N-(4-bromo-3-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922053
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921707
1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43919760
ethyl 2-chloro-4-[[(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 94025808
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 43923163
N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924997
(3S)-1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 93491855
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43932579
1-[(2-chlorophenyl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 133244901

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide (CID 38104218) is (3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide is CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)ccc21.
What is the InChIKey of (3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?
The InChIKey is YGGWKOAFXHPMOS-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H28ClN3O/c1-2-31-25-12-6-4-10-22(25)23-16-21(13-14-26(23)31)29-27(32)20-9-7-15-30(18-20)17-19-8-3-5-11-24(19)28/h3-6,8,10-14,16,20H,2,7,9,15,17-18H2,1H3,(H,29,32)/t20-/m0/s1.
What are the key properties of (3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?
(3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide has a molecular weight of 445.99 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 38104218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).