2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

C18H25N3O2 — CID 110609674

IUPAC2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)C1CC1
InChIInChI=1S/C18H25N3O2/c1-13(14-3-4-14)17(22)19-16-7-5-15(6-8-16)18(23)21-11-9-20(2)10-12-21/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyDYWZFINRDNSUBX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.06
Rot. Bonds4

About 2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 110609674) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID110609674
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)C1CC1
InChIInChI=1S/C18H25N3O2/c1-13(14-3-4-14)17(22)19-16-7-5-15(6-8-16)18(23)21-11-9-20(2)10-12-21/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyDYWZFINRDNSUBX-UHFFFAOYSA-N
XLogP2.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
CID 119861312
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 110616962
4-[2-(oxan-4-yl)propanoylamino]benzoic acid
CID 120684653
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea
CID 47510342
2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 107903159
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (CID 110609674) is 2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is CC(C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is DYWZFINRDNSUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(14-3-4-14)17(22)19-16-7-5-15(6-8-16)18(23)21-11-9-20(2)10-12-21/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,22).
What are the key properties of 2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 110609674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).