1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea

C24H32N4O — CID 167954900

IUPAC1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESC/C(=C\c1ccccc1)CN(C)C(=O)NC1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C24H32N4O/c1-19(17-21-7-5-4-6-8-21)18-27(3)24(29)26-23-11-15-28(16-12-23)20(2)22-9-13-25-14-10-22/h4-10,13-14,17,20,23H,11-12,15-16,18H2,1-3H3,(H,26,29)/b19-17+
InChIKeyBCUFIYWZKQHZDV-HTXNQAPBSA-N
MW392.55 g/mol
LogP4.35
Rot. Bonds6

About 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea

1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea (PubChem CID 167954900) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
PubChem CID167954900
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESC/C(=C\c1ccccc1)CN(C)C(=O)NC1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C24H32N4O/c1-19(17-21-7-5-4-6-8-21)18-27(3)24(29)26-23-11-15-28(16-12-23)20(2)22-9-13-25-14-10-22/h4-10,13-14,17,20,23H,11-12,15-16,18H2,1-3H3,(H,26,29)/b19-17+
InChIKeyBCUFIYWZKQHZDV-HTXNQAPBSA-N
XLogP4.35
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-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

1-methyl-1-(2-methylprop-2-enyl)-3-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]urea
CID 124615698
1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 100838749
1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 119879171
1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 166296337
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
CID 124591552
3-(5-methyl-1,2-oxazol-3-yl)-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]propanamide
CID 167941273
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
CID 119107841
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide
CID 166231856
N-[1-(1-phenylethyl)piperidin-4-yl]-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide
CID 166187462
2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040928

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea (CID 167954900) is 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea is C/C(=C\c1ccccc1)CN(C)C(=O)NC1CCN(C(C)c2ccncc2)CC1.
What is the InChIKey of 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The InChIKey is BCUFIYWZKQHZDV-HTXNQAPBSA-N. The full InChI is InChI=1S/C24H32N4O/c1-19(17-21-7-5-4-6-8-21)18-27(3)24(29)26-23-11-15-28(16-12-23)20(2)22-9-13-25-14-10-22/h4-10,13-14,17,20,23H,11-12,15-16,18H2,1-3H3,(H,26,29)/b19-17+.
What are the key properties of 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea has a molecular weight of 392.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 167954900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).