1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea

C23H28N4O2 — CID 4046036

IUPAC1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N(CCC#N)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c1-29-22-11-6-5-10-21(22)25-23(28)27(15-7-14-24)20-12-16-26(17-13-20)18-19-8-3-2-4-9-19/h2-6,8-11,20H,7,12-13,15-18H2,1H3,(H,25,28)
InChIKeyIVDGQOQJUXVHSZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.11
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea

1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea (PubChem CID 4046036) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea
PubChem CID4046036
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N(CCC#N)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c1-29-22-11-6-5-10-21(22)25-23(28)27(15-7-14-24)20-12-16-26(17-13-20)18-19-8-3-2-4-9-19/h2-6,8-11,20H,7,12-13,15-18H2,1H3,(H,25,28)
InChIKeyIVDGQOQJUXVHSZ-UHFFFAOYSA-N
XLogP4.11
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 24730757
N-(1-benzylpiperidin-4-yl)-4-tert-butyl-N-(2-cyanoethyl)benzamide
CID 42697200
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
CID 20908163
1-benzyl-1-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)urea
CID 3325887
1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]urea
CID 24730828
1-[3-(dimethylamino)propyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-methoxyphenyl)urea
CID 40797086
1-(1-benzylpiperidin-4-yl)-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703394
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methoxyphenyl)urea
CID 87008877

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea (CID 4046036) is 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)N(CCC#N)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea?
The InChIKey is IVDGQOQJUXVHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-29-22-11-6-5-10-21(22)25-23(28)27(15-7-14-24)20-12-16-26(17-13-20)18-19-8-3-2-4-9-19/h2-6,8-11,20H,7,12-13,15-18H2,1H3,(H,25,28).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea?
1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea has a molecular weight of 392.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 4046036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).