2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide

C14H30N4O — CID 55145462

IUPAC2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
SMILESCC(C)NC(CCN1CCN(C(C)C)CC1)C(N)=O
InChIInChI=1S/C14H30N4O/c1-11(2)16-13(14(15)19)5-6-17-7-9-18(10-8-17)12(3)4/h11-13,16H,5-10H2,1-4H3,(H2,15,19)
InChIKeyMEJMSAZFLHHWDG-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.25
Rot. Bonds7

About 2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide

2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide (PubChem CID 55145462) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
PubChem CID55145462
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
SMILESCC(C)NC(CCN1CCN(C(C)C)CC1)C(N)=O
InChIInChI=1S/C14H30N4O/c1-11(2)16-13(14(15)19)5-6-17-7-9-18(10-8-17)12(3)4/h11-13,16H,5-10H2,1-4H3,(H2,15,19)
InChIKeyMEJMSAZFLHHWDG-UHFFFAOYSA-N
XLogP0.25
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 63055622
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide
CID 63055271
4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63028170
4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
CID 65281802
methyl 4-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55144289
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
2-methyl-4-piperidin-1-ylbutanamide
CID 23061678
2-(propan-2-ylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 63152635
4-(azocan-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 63030294
methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate
CID 63159718
4-(3,3-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanamide
CID 63054478
2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062596

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of 2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide (CID 55145462) is 2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for 2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide is CC(C)NC(CCN1CCN(C(C)C)CC1)C(N)=O.
What is the InChIKey of 2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide?
The InChIKey is MEJMSAZFLHHWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-11(2)16-13(14(15)19)5-6-17-7-9-18(10-8-17)12(3)4/h11-13,16H,5-10H2,1-4H3,(H2,15,19).
What are the key properties of 2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide?
2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide has a molecular weight of 270.42 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 55145462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).