4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide

C26H27ClN4O2 — CID 42589308

IUPAC4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C26H27ClN4O2/c27-19-9-11-20(12-10-19)28-26(33)30-15-13-29(14-16-30)17-21(32)18-31-24-7-3-1-5-22(24)23-6-2-4-8-25(23)31/h1-12,21,32H,13-18H2,(H,28,33)/t21-/m1/s1
InChIKeyUKJQQSCTCWJLPG-OAQYLSRUSA-N
MW462.98 g/mol
LogP4.66
Rot. Bonds5

About 4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide

4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide (PubChem CID 42589308) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
PubChem CID42589308
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC Name4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C26H27ClN4O2/c27-19-9-11-20(12-10-19)28-26(33)30-15-13-29(14-16-30)17-21(32)18-31-24-7-3-1-5-22(24)23-6-2-4-8-25(23)31/h1-12,21,32H,13-18H2,(H,28,33)/t21-/m1/s1
InChIKeyUKJQQSCTCWJLPG-OAQYLSRUSA-N
XLogP4.66
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3752241
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 54613243
N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397485
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
N-(4-chlorophenyl)-4-(cyanomethyl)piperazine-1-carboxamide
CID 60970982

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide (CID 42589308) is 4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is UKJQQSCTCWJLPG-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c27-19-9-11-20(12-10-19)28-26(33)30-15-13-29(14-16-30)17-21(32)18-31-24-7-3-1-5-22(24)23-6-2-4-8-25(23)31/h1-12,21,32H,13-18H2,(H,28,33)/t21-/m1/s1.
What are the key properties of 4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide?
4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 462.98 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 42589308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).