2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide

C27H28ClN3O2 — CID 22458822

IUPAC2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C27H28ClN3O2/c1-2-31-24-6-4-3-5-22(24)23-17-21(11-12-25(23)31)29-26(32)18-30-15-13-27(33,14-16-30)19-7-9-20(28)10-8-19/h3-12,17,33H,2,13-16,18H2,1H3,(H,29,32)
InChIKeyMTQZZKHKVXGASF-UHFFFAOYSA-N
MW461.99 g/mol
LogP5.39
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide

2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 22458822) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID22458822
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C27H28ClN3O2/c1-2-31-24-6-4-3-5-22(24)23-17-21(11-12-25(23)31)29-26(32)18-30-15-13-27(33,14-16-30)19-7-9-20(28)10-8-19/h3-12,17,33H,2,13-16,18H2,1H3,(H,29,32)
InChIKeyMTQZZKHKVXGASF-UHFFFAOYSA-N
XLogP5.39
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 100589996
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 166605999
N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 166605994
N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide
CID 24985386
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
N-(9-ethylcarbazol-3-yl)-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 27248278
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43926053
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(9-ethylcarbazol-3-yl)acetamide
CID 98232040
N-(4-benzoylphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 22448043

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide (CID 22458822) is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)CN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc21.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is MTQZZKHKVXGASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c1-2-31-24-6-4-3-5-22(24)23-17-21(11-12-25(23)31)29-26(32)18-30-15-13-27(33,14-16-30)19-7-9-20(28)10-8-19/h3-12,17,33H,2,13-16,18H2,1H3,(H,29,32).
What are the key properties of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide?
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 461.99 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 22458822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).