N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide

C20H30ClN3O — CID 118786717

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCC(CCC(=O)NCC1(c2ccc(Cl)cc2)CC1)N1CCN(C)CC1
InChIInChI=1S/C20H30ClN3O/c1-16(24-13-11-23(2)12-14-24)3-8-19(25)22-15-20(9-10-20)17-4-6-18(21)7-5-17/h4-7,16H,3,8-15H2,1-2H3,(H,22,25)
InChIKeyPSIRSRHSQSPDET-UHFFFAOYSA-N
MW363.93 g/mol
LogP2.90
Rot. Bonds7

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide (PubChem CID 118786717) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide
PubChem CID118786717
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCC(CCC(=O)NCC1(c2ccc(Cl)cc2)CC1)N1CCN(C)CC1
InChIInChI=1S/C20H30ClN3O/c1-16(24-13-11-23(2)12-14-24)3-8-19(25)22-15-20(9-10-20)17-4-6-18(21)7-5-17/h4-7,16H,3,8-15H2,1-2H3,(H,22,25)
InChIKeyPSIRSRHSQSPDET-UHFFFAOYSA-N
XLogP2.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide
CID 164637520
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95179302
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
(4R)-4-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pentanamide
CID 125441014
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111455174
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772684
(4R)-N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-4-morpholin-4-ylpentanamide
CID 125173595

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide (CID 118786717) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide is CC(CCC(=O)NCC1(c2ccc(Cl)cc2)CC1)N1CCN(C)CC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The InChIKey is PSIRSRHSQSPDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-16(24-13-11-23(2)12-14-24)3-8-19(25)22-15-20(9-10-20)17-4-6-18(21)7-5-17/h4-7,16H,3,8-15H2,1-2H3,(H,22,25).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide has a molecular weight of 363.93 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 118786717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).