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

C27H28ClN3O — CID 45008831

IUPAC1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C27H28ClN3O/c1-2-31-25-9-4-3-8-23(25)24-17-22(10-11-26(24)31)29-27(32)20-12-14-30(15-13-20)18-19-6-5-7-21(28)16-19/h3-11,16-17,20H,2,12-15,18H2,1H3,(H,29,32)
InChIKeyKHBIWIORDMRKRJ-UHFFFAOYSA-N
MW445.99 g/mol
LogP6.32
Rot. Bonds5

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

1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide (PubChem CID 45008831) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
PubChem CID45008831
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C27H28ClN3O/c1-2-31-25-9-4-3-8-23(25)24-17-22(10-11-26(24)31)29-27(32)20-12-14-30(15-13-20)18-19-6-5-7-21(28)16-19/h3-11,16-17,20H,2,12-15,18H2,1H3,(H,29,32)
InChIKeyKHBIWIORDMRKRJ-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

1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43926053
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551
(3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 38104218
4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide
CID 38104347
1-[(3-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-4-carboxamide
CID 45012297
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
N-(3,4-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124830854
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide (CID 45008831) is 1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide?
The InChIKey is KHBIWIORDMRKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O/c1-2-31-25-9-4-3-8-23(25)24-17-22(10-11-26(24)31)29-27(32)20-12-14-30(15-13-20)18-19-6-5-7-21(28)16-19/h3-11,16-17,20H,2,12-15,18H2,1H3,(H,29,32).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-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-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 45008831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).