1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea

C20H26N4O — CID 86263594

IUPAC1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
SMILESO=C(NCCc1ccccc1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H26N4O/c25-20(22-13-6-17-4-2-1-3-5-17)23-16-18-9-14-24(15-10-18)19-7-11-21-12-8-19/h1-5,7-8,11-12,18H,6,9-10,13-16H2,(H2,22,23,25)
InChIKeyHSDDLMYXTSSQCN-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.84
Rot. Bonds6

About 1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea

1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea (PubChem CID 86263594) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
PubChem CID86263594
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
SMILESO=C(NCCc1ccccc1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H26N4O/c25-20(22-13-6-17-4-2-1-3-5-17)23-16-18-9-14-24(15-10-18)19-7-11-21-12-8-19/h1-5,7-8,11-12,18H,6,9-10,13-16H2,(H2,22,23,25)
InChIKeyHSDDLMYXTSSQCN-UHFFFAOYSA-N
XLogP2.84
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
CID 110033689
1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 121108845
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
1-(3,4-dimethylphenyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263595
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
2-(2-methoxyphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263567
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea
CID 154859659

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea (CID 86263594) is 1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea is O=C(NCCc1ccccc1)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea?
The InChIKey is HSDDLMYXTSSQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(22-13-6-17-4-2-1-3-5-17)23-16-18-9-14-24(15-10-18)19-7-11-21-12-8-19/h1-5,7-8,11-12,18H,6,9-10,13-16H2,(H2,22,23,25).
What are the key properties of 1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea?
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea has a molecular weight of 338.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 86263594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).