1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea

C22H36N4O — CID 126434100

IUPAC1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea
SMILESO=C(NCC[C@@H]1CCCCN1)NCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H36N4O/c27-22(24-14-9-21-8-4-5-13-23-21)25-18-20-11-16-26(17-12-20)15-10-19-6-2-1-3-7-19/h1-3,6-7,20-21,23H,4-5,8-18H2,(H2,24,25,27)/t21-/m0/s1
InChIKeyBINVICOCIIYAIO-NRFANRHFSA-N
MW372.56 g/mol
LogP2.77
Rot. Bonds8

About 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea

1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea (PubChem CID 126434100) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea
PubChem CID126434100
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea
SMILESO=C(NCC[C@@H]1CCCCN1)NCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H36N4O/c27-22(24-14-9-21-8-4-5-13-23-21)25-18-20-11-16-26(17-12-20)15-10-19-6-2-1-3-7-19/h1-3,6-7,20-21,23H,4-5,8-18H2,(H2,24,25,27)/t21-/m0/s1
InChIKeyBINVICOCIIYAIO-NRFANRHFSA-N
XLogP2.77
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea with MolForge

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Related Compounds

N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine
CID 70079298
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea
CID 117235828
(2S)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081520
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-prop-2-enylurea
CID 95570926
1-[[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 95320670
(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 126454471
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea
CID 72879483
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea?
The IUPAC name of 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea (CID 126434100) is 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea.
What is the SMILES notation for 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea?
The canonical SMILES for 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea is O=C(NCC[C@@H]1CCCCN1)NCC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea?
The InChIKey is BINVICOCIIYAIO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H36N4O/c27-22(24-14-9-21-8-4-5-13-23-21)25-18-20-11-16-26(17-12-20)15-10-19-6-2-1-3-7-19/h1-3,6-7,20-21,23H,4-5,8-18H2,(H2,24,25,27)/t21-/m0/s1.
What are the key properties of 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea?
1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea has a molecular weight of 372.56 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea is sourced from PubChem (CID 126434100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).