1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea

C19H22ClN3O2 — CID 159900730

IUPAC1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea
SMILESCOc1ccc([C@@H]2CNCC[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-25-16-8-2-13(3-9-16)17-12-21-11-10-18(17)23-19(24)22-15-6-4-14(20)5-7-15/h2-9,17-18,21H,10-12H2,1H3,(H2,22,23,24)/t17-,18+/m0/s1
InChIKeyNVXOOHDOURYTRZ-ZWKOTPCHSA-N
MW359.86 g/mol
LogP3.62
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea

1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea (PubChem CID 159900730) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea
PubChem CID159900730
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea
SMILESCOc1ccc([C@@H]2CNCC[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-25-16-8-2-13(3-9-16)17-12-21-11-10-18(17)23-19(24)22-15-6-4-14(20)5-7-15/h2-9,17-18,21H,10-12H2,1H3,(H2,22,23,24)/t17-,18+/m0/s1
InChIKeyNVXOOHDOURYTRZ-ZWKOTPCHSA-N
XLogP3.62
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347434
1-(4-bromophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347554
1-(4-chlorophenyl)-3-[3-[(4-methoxyphenyl)-pyrimidin-2-ylmethyl]piperidin-4-yl]urea
CID 139466472
1-[(3R,4R)-1,3-bis(4-methoxyphenyl)piperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139466768
1-(4-chlorophenyl)-3-[(3S,4S)-4-(2,6-difluoro-4-methoxyphenyl)piperidin-3-yl]urea
CID 134347569
tert-butyl (4R)-4-[(4-chlorophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139476004
1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139475787
1-(4-chlorophenyl)-3-[(3S)-1-(cyclopropylmethyl)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]urea
CID 134361553
1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347535
1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea
CID 163994451
1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 139475514
1-(4-chlorophenyl)-3-[1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 139468150

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea (CID 159900730) is 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea is COc1ccc([C@@H]2CNCC[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea?
The InChIKey is NVXOOHDOURYTRZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-25-16-8-2-13(3-9-16)17-12-21-11-10-18(17)23-19(24)22-15-6-4-14(20)5-7-15/h2-9,17-18,21H,10-12H2,1H3,(H2,22,23,24)/t17-,18+/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea?
1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea has a molecular weight of 359.86 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea is sourced from PubChem (CID 159900730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).