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

C14H17BrN2O3 — CID 154997701

IUPAC[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H17BrN2O3/c15-11-3-1-10(2-4-11)9-13(18)17-7-5-12(6-8-17)16-14(19)20/h1-4,12,16H,5-9H2,(H,19,20)
InChIKeyIYJRMJKHSVZNRA-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.25
Rot. Bonds3

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

[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid (PubChem CID 154997701) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is [1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
PubChem CID154997701
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H17BrN2O3/c15-11-3-1-10(2-4-11)9-13(18)17-7-5-12(6-8-17)16-14(19)20/h1-4,12,16H,5-9H2,(H,19,20)
InChIKeyIYJRMJKHSVZNRA-UHFFFAOYSA-N
XLogP2.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]acetamide
CID 49348733
tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
CID 55868751
2-(4-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623627
1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537586
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119702473
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 119411406
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186980

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid (CID 154997701) is [1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of [1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid?
The InChIKey is IYJRMJKHSVZNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-11-3-1-10(2-4-11)9-13(18)17-7-5-12(6-8-17)16-14(19)20/h1-4,12,16H,5-9H2,(H,19,20).
What are the key properties of [1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid?
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid has a molecular weight of 341.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 154997701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).