1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea

C16H23N7O — CID 94122854

IUPAC1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
SMILESC[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H23N7O/c1-13(10-22-9-7-17-12-22)20-16(24)21-14-4-2-8-23(11-14)15-18-5-3-6-19-15/h3,5-7,9,12-14H,2,4,8,10-11H2,1H3,(H2,20,21,24)/t13-,14+/m0/s1
InChIKeyLCUXQPGGDDVSMX-UONOGXRCSA-N
MW329.41 g/mol
LogP1.03
Rot. Bonds5

About 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea

1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea (PubChem CID 94122854) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
PubChem CID94122854
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
SMILESC[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H23N7O/c1-13(10-22-9-7-17-12-22)20-16(24)21-14-4-2-8-23(11-14)15-18-5-3-6-19-15/h3,5-7,9,12-14H,2,4,8,10-11H2,1H3,(H2,20,21,24)/t13-,14+/m0/s1
InChIKeyLCUXQPGGDDVSMX-UONOGXRCSA-N
XLogP1.03
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea 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-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 91835587
N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
CID 51089111
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 94049873
2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 95134639
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
CID 56887725
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95134502
(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
CID 61179360

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea?
The IUPAC name of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea (CID 94122854) is 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea.
What is the SMILES notation for 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea?
The canonical SMILES for 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea is C[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea?
The InChIKey is LCUXQPGGDDVSMX-UONOGXRCSA-N. The full InChI is InChI=1S/C16H23N7O/c1-13(10-22-9-7-17-12-22)20-16(24)21-14-4-2-8-23(11-14)15-18-5-3-6-19-15/h3,5-7,9,12-14H,2,4,8,10-11H2,1H3,(H2,20,21,24)/t13-,14+/m0/s1.
What are the key properties of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea?
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea has a molecular weight of 329.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea is sourced from PubChem (CID 94122854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).