[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone

C16H21N3O2 — CID 60939271

IUPAC[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1N
InChIInChI=1S/C16H21N3O2/c1-11-10-13(4-5-14(11)17)16(21)19-8-6-18(7-9-19)15(20)12-2-3-12/h4-5,10,12H,2-3,6-9,17H2,1H3
InChIKeyPVEAVEQDDVKQJM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.27
Rot. Bonds2

About [4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone

[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 60939271) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID60939271
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1N
InChIInChI=1S/C16H21N3O2/c1-11-10-13(4-5-14(11)17)16(21)19-8-6-18(7-9-19)15(20)12-2-3-12/h4-5,10,12H,2-3,6-9,17H2,1H3
InChIKeyPVEAVEQDDVKQJM-UHFFFAOYSA-N
XLogP1.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216
4-(4-amino-3-methylbenzoyl)piperazine-1-carbaldehyde
CID 28748690
1-(4-amino-3-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081648
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylphenyl)methanone
CID 54906207
4-[1-(3,4-dimethylbenzoyl)piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 113003765
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 103706428
cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 110800460

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone (CID 60939271) is [4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone is Cc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1N.
What is the InChIKey of [4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is PVEAVEQDDVKQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-10-13(4-5-14(11)17)16(21)19-8-6-18(7-9-19)15(20)12-2-3-12/h4-5,10,12H,2-3,6-9,17H2,1H3.
What are the key properties of [4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 287.36 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 60939271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).