(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide

C16H23N3O2 — CID 125018385

IUPAC(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN[C@H](C(=O)NC3CCC3)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-21-14-7-5-13(6-8-14)19-10-9-17-15(11-19)16(20)18-12-3-2-4-12/h5-8,12,15,17H,2-4,9-11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyXOMKSEGWSIYGCX-HNNXBMFYSA-N
MW289.38 g/mol
LogP1.14
Rot. Bonds4

About (2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide

(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide (PubChem CID 125018385) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
PubChem CID125018385
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN[C@H](C(=O)NC3CCC3)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-21-14-7-5-13(6-8-14)19-10-9-17-15(11-19)16(20)18-12-3-2-4-12/h5-8,12,15,17H,2-4,9-11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyXOMKSEGWSIYGCX-HNNXBMFYSA-N
XLogP1.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086728
N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086678
(2R)-N-(2-methoxyphenyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 124984923
(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone
CID 124983561
4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 110086699
(2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide
CID 124977181
(2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide
CID 95711110
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119899355
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide (CID 125018385) is (2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide is COc1ccc(N2CCN[C@H](C(=O)NC3CCC3)C2)cc1.
What is the InChIKey of (2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide?
The InChIKey is XOMKSEGWSIYGCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-14-7-5-13(6-8-14)19-10-9-17-15(11-19)16(20)18-12-3-2-4-12/h5-8,12,15,17H,2-4,9-11H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide?
(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 125018385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).