[1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid

C20H27BrN2O4 — CID 69018973

IUPAC[1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)C(c2cccc(Br)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C20H27BrN2O4/c21-15-6-4-5-14(13-15)17(20(27)9-2-1-3-10-20)18(24)23-11-7-16(8-12-23)22-19(25)26/h4-6,13,16-17,22,27H,1-3,7-12H2,(H,25,26)
InChIKeySOPRRWDWKCGEJX-UHFFFAOYSA-N
MW439.35 g/mol
LogP3.49
Rot. Bonds4

About [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid

[1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid (PubChem CID 69018973) has the molecular formula C20H27BrN2O4 and a molecular weight of 439.35 g/mol. Its IUPAC name is [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid
PubChem CID69018973
Molecular FormulaC20H27BrN2O4
Molecular Weight439.35 g/mol
Exact Mass438.12
IUPAC Name[1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)C(c2cccc(Br)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C20H27BrN2O4/c21-15-6-4-5-14(13-15)17(20(27)9-2-1-3-10-20)18(24)23-11-7-16(8-12-23)22-19(25)26/h4-6,13,16-17,22,27H,1-3,7-12H2,(H,25,26)
InChIKeySOPRRWDWKCGEJX-UHFFFAOYSA-N
XLogP3.49
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(3-chloro-4-hydroxyphenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid
CID 68867047
2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone
CID 68854082
[(3S)-1-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]carbamic acid
CID 68853149
tert-butyl N-[1-[2-[4-(3-bromophenyl)phenyl]-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamate
CID 91249616
[(3R)-1-[2-(1-hydroxycyclohexyl)-2-naphthalen-1-ylacetyl]pyrrolidin-3-yl]carbamic acid
CID 68865519
tert-butyl N-[1-[2-[3-(3,4-dichlorophenyl)phenyl]-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamate
CID 91066904
[1-[(2S)-2-(3-chloro-4-phenylmethoxyphenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamic acid
CID 68867022
tert-butyl N-[(3S)-1-[(2S)-2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamate
CID 86599053
tert-butyl N-[1-[2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamate
CID 86599033
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
CID 91204468
butyl N-[(3R)-1-[2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamate
CID 154120762
[1-[2-(1-hydroxycyclohexyl)-2-(3-phenoxyphenyl)acetyl]piperidin-4-yl] N-tert-butylcarbamate
CID 91114862

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid (CID 69018973) is [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C(=O)C(c2cccc(Br)c2)C2(O)CCCCC2)CC1.
What is the InChIKey of [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid?
The InChIKey is SOPRRWDWKCGEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O4/c21-15-6-4-5-14(13-15)17(20(27)9-2-1-3-10-20)18(24)23-11-7-16(8-12-23)22-19(25)26/h4-6,13,16-17,22,27H,1-3,7-12H2,(H,25,26).
What are the key properties of [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid?
[1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid has a molecular weight of 439.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 69018973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).