1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide

C27H28ClN3O — CID 43926053

IUPAC1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CCCN(Cc4ccc(Cl)cc4)C3)ccc21
InChIInChI=1S/C27H28ClN3O/c1-2-31-25-8-4-3-7-23(25)24-16-22(13-14-26(24)31)29-27(32)20-6-5-15-30(18-20)17-19-9-11-21(28)12-10-19/h3-4,7-14,16,20H,2,5-6,15,17-18H2,1H3,(H,29,32)
InChIKeyQEIFTXTYGYXJFZ-UHFFFAOYSA-N
MW445.99 g/mol
LogP6.32
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide (PubChem CID 43926053) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
PubChem CID43926053
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CCCN(Cc4ccc(Cl)cc4)C3)ccc21
InChIInChI=1S/C27H28ClN3O/c1-2-31-25-8-4-3-7-23(25)24-16-22(13-14-26(24)31)29-27(32)20-6-5-15-30(18-20)17-19-9-11-21(28)12-10-19/h3-4,7-14,16,20H,2,5-6,15,17-18H2,1H3,(H,29,32)
InChIKeyQEIFTXTYGYXJFZ-UHFFFAOYSA-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

(3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 38104218
1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 45008831
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
(3S)-N-(4-chlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831312
N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875
1-[(4-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43922850
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43932579
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide (CID 43926053) is 1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C3CCCN(Cc4ccc(Cl)cc4)C3)ccc21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?
The InChIKey is QEIFTXTYGYXJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O/c1-2-31-25-8-4-3-7-23(25)24-16-22(13-14-26(24)31)29-27(32)20-6-5-15-30(18-20)17-19-9-11-21(28)12-10-19/h3-4,7-14,16,20H,2,5-6,15,17-18H2,1H3,(H,29,32).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide?
1-[(4-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 1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43926053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).