(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide

C13H28N4O — CID 119901742

IUPAC(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide
SMILESCC[C@H](N)C(=O)NCC(C)N1CCN(CC)CC1
InChIInChI=1S/C13H28N4O/c1-4-12(14)13(18)15-10-11(3)17-8-6-16(5-2)7-9-17/h11-12H,4-10,14H2,1-3H3,(H,15,18)/t11?,12-/m0/s1
InChIKeyIPGDXLJCMXQKCP-KIYNQFGBSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds6

About (2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide

(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide (PubChem CID 119901742) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide
PubChem CID119901742
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide
SMILESCC[C@H](N)C(=O)NCC(C)N1CCN(CC)CC1
InChIInChI=1S/C13H28N4O/c1-4-12(14)13(18)15-10-11(3)17-8-6-16(5-2)7-9-17/h11-12H,4-10,14H2,1-3H3,(H,15,18)/t11?,12-/m0/s1
InChIKeyIPGDXLJCMXQKCP-KIYNQFGBSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107570261
(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 119902872
(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide
CID 119849934
(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
CID 61173580
N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide
CID 119901708
(2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide
CID 99858308
(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905937
4-(4-ethylpiperazin-1-yl)pentan-2-amine
CID 64707978
2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691
3-(4-ethylpiperazin-1-yl)butanoic acid
CID 43537206
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide (CID 119901742) is (2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide is CC[C@H](N)C(=O)NCC(C)N1CCN(CC)CC1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide?
The InChIKey is IPGDXLJCMXQKCP-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-12(14)13(18)15-10-11(3)17-8-6-16(5-2)7-9-17/h11-12H,4-10,14H2,1-3H3,(H,15,18)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide?
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 119901742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).