2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide

C16H32N4O — CID 63927047

IUPAC2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
SMILESCC(C)NC(CN1CCN(C)C(C)(C)C1)(C(N)=O)C1CC1
InChIInChI=1S/C16H32N4O/c1-12(2)18-16(14(17)21,13-6-7-13)11-20-9-8-19(5)15(3,4)10-20/h12-13,18H,6-11H2,1-5H3,(H2,17,21)
InChIKeyDCLNIEIVDRLQHH-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.64
Rot. Bonds6

About 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide

2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide (PubChem CID 63927047) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
PubChem CID63927047
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
SMILESCC(C)NC(CN1CCN(C)C(C)(C)C1)(C(N)=O)C1CC1
InChIInChI=1S/C16H32N4O/c1-12(2)18-16(14(17)21,13-6-7-13)11-20-9-8-19(5)15(3,4)10-20/h12-13,18H,6-11H2,1-5H3,(H2,17,21)
InChIKeyDCLNIEIVDRLQHH-UHFFFAOYSA-N
XLogP0.64
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide
CID 63908270
2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926025
2-cyclopropyl-2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926841
2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 113418666
2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 63907433
2-methyl-2-(propan-2-ylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butanoic acid
CID 63633516
2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
CID 63908091
2-cyclopropyl-3-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)propanamide
CID 63911117
2-cyclopropyl-2-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-ol
CID 64790209
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 63911898
2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)propanamide
CID 63910510
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanamide
CID 63918574

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide (CID 63927047) is 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide is CC(C)NC(CN1CCN(C)C(C)(C)C1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
The InChIKey is DCLNIEIVDRLQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-12(2)18-16(14(17)21,13-6-7-13)11-20-9-8-19(5)15(3,4)10-20/h12-13,18H,6-11H2,1-5H3,(H2,17,21).
What are the key properties of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide has a molecular weight of 296.46 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 63927047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).