(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide

C14H30N4O — CID 119902872

IUPAC(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(C)N1CCN(C)CC1
InChIInChI=1S/C14H30N4O/c1-11(2)9-13(15)14(19)16-10-12(3)18-7-5-17(4)6-8-18/h11-13H,5-10,15H2,1-4H3,(H,16,19)/t12?,13-/m0/s1
InChIKeyGWCYCFZCBSKNOU-ABLWVSNPSA-N
MW270.42 g/mol
LogP0.11
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide

(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide (PubChem CID 119902872) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
PubChem CID119902872
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(C)N1CCN(C)CC1
InChIInChI=1S/C14H30N4O/c1-11(2)9-13(15)14(19)16-10-12(3)18-7-5-17(4)6-8-18/h11-13H,5-10,15H2,1-4H3,(H,16,19)/t12?,13-/m0/s1
InChIKeyGWCYCFZCBSKNOU-ABLWVSNPSA-N
XLogP0.11
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide
CID 119849934
(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 104903261
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide
CID 119901742
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 120670632
(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide
CID 107163870
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271677
(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107570261
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)guanidine
CID 111179110
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
(2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide
CID 119901452
2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
CID 54906759

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide (CID 119902872) is (2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide is CC(C)C[C@H](N)C(=O)NCC(C)N1CCN(C)CC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide?
The InChIKey is GWCYCFZCBSKNOU-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H30N4O/c1-11(2)9-13(15)14(19)16-10-12(3)18-7-5-17(4)6-8-18/h11-13H,5-10,15H2,1-4H3,(H,16,19)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide has a molecular weight of 270.42 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide is sourced from PubChem (CID 119902872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).