4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide

C15H21N3O2 — CID 142072938

IUPAC4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(CCC=O)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-17-8-10-18(11-9-17)15(20)16-14-6-4-13(5-7-14)3-2-12-19/h4-7,12H,2-3,8-11H2,1H3,(H,16,20)
InChIKeyMBSHTNMMGCNEGV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.60
Rot. Bonds4

About 4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide

4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide (PubChem CID 142072938) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide
PubChem CID142072938
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(CCC=O)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-17-8-10-18(11-9-17)15(20)16-14-6-4-13(5-7-14)3-2-12-19/h4-7,12H,2-3,8-11H2,1H3,(H,16,20)
InChIKeyMBSHTNMMGCNEGV-UHFFFAOYSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
CID 4296438
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
N-{2-[4-(4-ethylphenyl)-1-piperazinyl]ethyl}-N'-phenylurea
CID 1256791
Ethyl 4-[(4-butylphenyl)carbamothioyl]piperazine-1-carboxylate
CID 2193150
N-[4-(butan-2-yl)phenyl]morpholine-4-carboxamide
CID 2880620
N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2955257
N-(4-ethylphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 6466423
1-(3,4-Dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6468665
N-(3-methylphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 6471094
4-(4-acetylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 16012840
1-[1-(4-Acetyl-piperazine-1-carbonyl)-cyclohexyl]-3-p-tolyl-urea
CID 6487857

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide (CID 142072938) is 4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(CCC=O)cc2)CC1.
What is the InChIKey of 4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide?
The InChIKey is MBSHTNMMGCNEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-8-10-18(11-9-17)15(20)16-14-6-4-13(5-7-14)3-2-12-19/h4-7,12H,2-3,8-11H2,1H3,(H,16,20).
What are the key properties of 4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide?
4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 142072938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).