3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide

C15H29N5O3 — CID 94007632

IUPAC3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCC[C@H](C)NC(=O)CN1CCN(CCC(=O)NC(=O)NC)CC1
InChIInChI=1S/C15H29N5O3/c1-4-12(2)17-14(22)11-20-9-7-19(8-10-20)6-5-13(21)18-15(23)16-3/h12H,4-11H2,1-3H3,(H,17,22)(H2,16,18,21,23)/t12-/m0/s1
InChIKeyVJEXFQNVKRNZKN-LBPRGKRZSA-N
MW327.43 g/mol
LogP-0.64
Rot. Bonds7

About 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide

3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 94007632) has the molecular formula C15H29N5O3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID94007632
Molecular FormulaC15H29N5O3
Molecular Weight327.43 g/mol
Exact Mass327.23
IUPAC Name3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCC[C@H](C)NC(=O)CN1CCN(CCC(=O)NC(=O)NC)CC1
InChIInChI=1S/C15H29N5O3/c1-4-12(2)17-14(22)11-20-9-7-19(8-10-20)6-5-13(21)18-15(23)16-3/h12H,4-11H2,1-3H3,(H,17,22)(H2,16,18,21,23)/t12-/m0/s1
InChIKeyVJEXFQNVKRNZKN-LBPRGKRZSA-N
XLogP-0.64
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)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

3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 55216877
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78982381
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
N-butan-2-yl-2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]acetamide
CID 111487266
3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
CID 82323000
N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012920
N-butan-2-yl-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 113283097
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 48943846
N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 124729725
N-butan-2-yl-2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]acetamide
CID 63852912
N-butan-2-yl-2-[4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]acetamide
CID 134045485

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 94007632) is 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide is CC[C@H](C)NC(=O)CN1CCN(CCC(=O)NC(=O)NC)CC1.
What is the InChIKey of 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is VJEXFQNVKRNZKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29N5O3/c1-4-12(2)17-14(22)11-20-9-7-19(8-10-20)6-5-13(21)18-15(23)16-3/h12H,4-11H2,1-3H3,(H,17,22)(H2,16,18,21,23)/t12-/m0/s1.
What are the key properties of 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 327.43 g/mol, XLogP of -0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 94007632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).