1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea

C19H32N4O — CID 143176399

IUPAC1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea
SMILESCC(NCCNC(=O)NCCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C19H32N4O/c1-17(18-9-4-2-5-10-18)20-12-13-22-19(24)21-11-8-16-23-14-6-3-7-15-23/h2,4-5,9-10,17,20H,3,6-8,11-16H2,1H3,(H2,21,22,24)
InChIKeyFQWWIXRTVRDFHT-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.51
Rot. Bonds9

About 1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea

1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea (PubChem CID 143176399) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea
PubChem CID143176399
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea
SMILESCC(NCCNC(=O)NCCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C19H32N4O/c1-17(18-9-4-2-5-10-18)20-12-13-22-19(24)21-11-8-16-23-14-6-3-7-15-23/h2,4-5,9-10,17,20H,3,6-8,11-16H2,1H3,(H2,21,22,24)
InChIKeyFQWWIXRTVRDFHT-UHFFFAOYSA-N
XLogP2.51
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)butyl]-3-[(1R)-1-phenylethyl]urea
CID 94813321
N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56510564
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
3-acetamido-N-[3-(azepan-1-yl)propyl]-3-phenylpropanamide
CID 78778209
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657866
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976
1-(2-hydroxy-2-phenylpropyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 111334586

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea (CID 143176399) is 1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea is CC(NCCNC(=O)NCCCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea?
The InChIKey is FQWWIXRTVRDFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-17(18-9-4-2-5-10-18)20-12-13-22-19(24)21-11-8-16-23-14-6-3-7-15-23/h2,4-5,9-10,17,20H,3,6-8,11-16H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea?
1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea has a molecular weight of 332.49 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 143176399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).