N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

C19H30N4O — CID 109013548

IUPACN-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCN1CCN(c2ccc(NCCC(=O)NC3CCCC3)cc2)CC1
InChIInChI=1S/C19H30N4O/c1-22-12-14-23(15-13-22)18-8-6-16(7-9-18)20-11-10-19(24)21-17-4-2-3-5-17/h6-9,17,20H,2-5,10-15H2,1H3,(H,21,24)
InChIKeyRIORDAPOAPPDKV-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.30
Rot. Bonds6

About N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (PubChem CID 109013548) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
PubChem CID109013548
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCN1CCN(c2ccc(NCCC(=O)NC3CCCC3)cc2)CC1
InChIInChI=1S/C19H30N4O/c1-22-12-14-23(15-13-22)18-8-6-16(7-9-18)20-11-10-19(24)21-17-4-2-3-5-17/h6-9,17,20H,2-5,10-15H2,1H3,(H,21,24)
InChIKeyRIORDAPOAPPDKV-UHFFFAOYSA-N
XLogP2.30
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109026393
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013029
3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The IUPAC name of N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (CID 109013548) is N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is CN1CCN(c2ccc(NCCC(=O)NC3CCCC3)cc2)CC1.
What is the InChIKey of N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The InChIKey is RIORDAPOAPPDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-22-12-14-23(15-13-22)18-8-6-16(7-9-18)20-11-10-19(24)21-17-4-2-3-5-17/h6-9,17,20H,2-5,10-15H2,1H3,(H,21,24).
What are the key properties of N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide has a molecular weight of 330.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is sourced from PubChem (CID 109013548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).