(4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide

C19H37N3O — CID 164637520

IUPAC(4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide
SMILESCC(C)CC1(CNC(=O)CC[C@H](C)N2CCN(C)CC2)CCC1
InChIInChI=1S/C19H37N3O/c1-16(2)14-19(8-5-9-19)15-20-18(23)7-6-17(3)22-12-10-21(4)11-13-22/h16-17H,5-15H2,1-4H3,(H,20,23)/t17-/m0/s1
InChIKeyBRTGMCFSSACVNH-KRWDZBQOSA-N
MW323.53 g/mol
LogP2.74
Rot. Bonds8

About (4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide

(4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide (PubChem CID 164637520) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is (4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide.

Molecular Properties

Compound Name(4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide
PubChem CID164637520
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name(4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide
SMILESCC(C)CC1(CNC(=O)CC[C@H](C)N2CCN(C)CC2)CCC1
InChIInChI=1S/C19H37N3O/c1-16(2)14-19(8-5-9-19)15-20-18(23)7-6-17(3)22-12-10-21(4)11-13-22/h16-17H,5-15H2,1-4H3,(H,20,23)/t17-/m0/s1
InChIKeyBRTGMCFSSACVNH-KRWDZBQOSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669
2-(methylamino)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 119788858
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 118786717
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916
3-(2-aminophenyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 120610868
4-amino-N-[(1-ethylcyclobutyl)methyl]pentanamide
CID 106813317
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 103966507
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
CID 112617453
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109470295
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxypentanamide
CID 113382189
N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide
CID 125443769

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide?
The IUPAC name of (4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide (CID 164637520) is (4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide.
What is the SMILES notation for (4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide?
The canonical SMILES for (4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide is CC(C)CC1(CNC(=O)CC[C@H](C)N2CCN(C)CC2)CCC1.
What is the InChIKey of (4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide?
The InChIKey is BRTGMCFSSACVNH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H37N3O/c1-16(2)14-19(8-5-9-19)15-20-18(23)7-6-17(3)22-12-10-21(4)11-13-22/h16-17H,5-15H2,1-4H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide?
(4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide has a molecular weight of 323.53 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide is sourced from PubChem (CID 164637520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).