1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea

C20H31N3O2 — CID 169317885

IUPAC1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea
SMILESCCNC(=O)NCCCCC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-2-21-20(25)22-13-7-6-8-17-11-14-23(15-12-17)19(24)16-18-9-4-3-5-10-18/h3-5,9-10,17H,2,6-8,11-16H2,1H3,(H2,21,22,25)
InChIKeyCBZVLYYWPURONZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.96
Rot. Bonds8

About 1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea

1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea (PubChem CID 169317885) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea
PubChem CID169317885
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea
SMILESCCNC(=O)NCCCCC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-2-21-20(25)22-13-7-6-8-17-11-14-23(15-12-17)19(24)16-18-9-4-3-5-10-18/h3-5,9-10,17H,2,6-8,11-16H2,1H3,(H2,21,22,25)
InChIKeyCBZVLYYWPURONZ-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butyl]urea
CID 169317870
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
4-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]butylurea
CID 166835126
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide
CID 177371903
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
CID 119644211
2-chloro-1-[4-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 19961796
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119542661
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea?
The IUPAC name of 1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea (CID 169317885) is 1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea is CCNC(=O)NCCCCC1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea?
The InChIKey is CBZVLYYWPURONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-21-20(25)22-13-7-6-8-17-11-14-23(15-12-17)19(24)16-18-9-4-3-5-10-18/h3-5,9-10,17H,2,6-8,11-16H2,1H3,(H2,21,22,25).
What are the key properties of 1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea?
1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea has a molecular weight of 345.49 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea is sourced from PubChem (CID 169317885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).