1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea

C19H24N4O — CID 74231138

IUPAC1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
SMILESO=C(NCCN1CCC(c2ccccc2)CC1)Nc1cccnc1
InChIInChI=1S/C19H24N4O/c24-19(22-18-7-4-10-20-15-18)21-11-14-23-12-8-17(9-13-23)16-5-2-1-3-6-16/h1-7,10,15,17H,8-9,11-14H2,(H2,21,22,24)
InChIKeyFVBJEPBZLWSNNM-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.08
Rot. Bonds5

About 1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea

1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea (PubChem CID 74231138) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
PubChem CID74231138
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
SMILESO=C(NCCN1CCC(c2ccccc2)CC1)Nc1cccnc1
InChIInChI=1S/C19H24N4O/c24-19(22-18-7-4-10-20-15-18)21-11-14-23-12-8-17(9-13-23)16-5-2-1-3-6-16/h1-7,10,15,17H,8-9,11-14H2,(H2,21,22,24)
InChIKeyFVBJEPBZLWSNNM-UHFFFAOYSA-N
XLogP3.08
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 118792578
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea
CID 110173334
1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 72901107
1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
1-(3,4-dimethoxyphenyl)-3-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 97453201
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 125155199
(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
CID 125157377
2-(4-pyridin-3-ylpiperidin-1-yl)ethanol
CID 150777844

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea (CID 74231138) is 1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea is O=C(NCCN1CCC(c2ccccc2)CC1)Nc1cccnc1.
What is the InChIKey of 1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea?
The InChIKey is FVBJEPBZLWSNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(22-18-7-4-10-20-15-18)21-11-14-23-12-8-17(9-13-23)16-5-2-1-3-6-16/h1-7,10,15,17H,8-9,11-14H2,(H2,21,22,24).
What are the key properties of 1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea?
1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea has a molecular weight of 324.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 74231138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).