1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea

C22H28N4O2 — CID 166276664

IUPAC1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(C(=O)N2CCC(C(CN)c3ccccc3)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-24-22(28)25-19-9-5-8-18(14-19)21(27)26-12-10-17(11-13-26)20(15-23)16-6-3-2-4-7-16/h2-9,14,17,20H,10-13,15,23H2,1H3,(H2,24,25,28)
InChIKeyYLWJCNLWACQHLX-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.03
Rot. Bonds5

About 1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea

1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea (PubChem CID 166276664) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea
PubChem CID166276664
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(C(=O)N2CCC(C(CN)c3ccccc3)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-24-22(28)25-19-9-5-8-18(14-19)21(27)26-12-10-17(11-13-26)20(15-23)16-6-3-2-4-7-16/h2-9,14,17,20H,10-13,15,23H2,1H3,(H2,24,25,28)
InChIKeyYLWJCNLWACQHLX-UHFFFAOYSA-N
XLogP3.03
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
2-cyclopropyl-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 110420849
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide
CID 119520999
methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170
5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55774560
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555614
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 110931885
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
N-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
CID 9337376
cis-(1S,2R)-2-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28637437

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea?
The IUPAC name of 1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea (CID 166276664) is 1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea?
The canonical SMILES for 1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea is CNC(=O)Nc1cccc(C(=O)N2CCC(C(CN)c3ccccc3)CC2)c1.
What is the InChIKey of 1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea?
The InChIKey is YLWJCNLWACQHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-24-22(28)25-19-9-5-8-18(14-19)21(27)26-12-10-17(11-13-26)20(15-23)16-6-3-2-4-7-16/h2-9,14,17,20H,10-13,15,23H2,1H3,(H2,24,25,28).
What are the key properties of 1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea?
1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea has a molecular weight of 380.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea is sourced from PubChem (CID 166276664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).