4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide

C14H28N4O — CID 114537377

IUPAC4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide
SMILESCC1CN(C(CN)CC(=O)NC2CC2)CC(C)N1C
InChIInChI=1S/C14H28N4O/c1-10-8-18(9-11(2)17(10)3)13(7-15)6-14(19)16-12-4-5-12/h10-13H,4-9,15H2,1-3H3,(H,16,19)
InChIKeyXUNVPBBRNUHQAA-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.01
Rot. Bonds5

About 4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide

4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide (PubChem CID 114537377) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide
PubChem CID114537377
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide
SMILESCC1CN(C(CN)CC(=O)NC2CC2)CC(C)N1C
InChIInChI=1S/C14H28N4O/c1-10-8-18(9-11(2)17(10)3)13(7-15)6-14(19)16-12-4-5-12/h10-13H,4-9,15H2,1-3H3,(H,16,19)
InChIKeyXUNVPBBRNUHQAA-UHFFFAOYSA-N
XLogP0.01
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-3-piperidin-1-ylbutanamide
CID 66431608
4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66429992
4-amino-3-(4-cyclopentylpiperazin-1-yl)-N-cyclopropylbutanamide
CID 66432440
4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide
CID 66430397
4-amino-N-cyclopropyl-3-[(2,6-dimethylpiperidin-1-yl)amino]butanamide
CID 83010707
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427409
4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide
CID 66430561
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 63340617
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
4-amino-N-cyclohexyl-3-methylbutanamide
CID 81070976

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide (CID 114537377) is 4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide is CC1CN(C(CN)CC(=O)NC2CC2)CC(C)N1C.
What is the InChIKey of 4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide?
The InChIKey is XUNVPBBRNUHQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-10-8-18(9-11(2)17(10)3)13(7-15)6-14(19)16-12-4-5-12/h10-13H,4-9,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide?
4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide has a molecular weight of 268.40 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide is sourced from PubChem (CID 114537377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).