3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea

C16H22ClN3O — CID 110874785

IUPAC3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C(=O)Nc2cccc(Cl)c2)C2CC2)CC1
InChIInChI=1S/C16H22ClN3O/c1-19-9-7-15(8-10-19)20(14-5-6-14)16(21)18-13-4-2-3-12(17)11-13/h2-4,11,14-15H,5-10H2,1H3,(H,18,21)
InChIKeyKYRMMDUDZSTRRP-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.43
Rot. Bonds3

About 3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea

3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 110874785) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID110874785
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C(=O)Nc2cccc(Cl)c2)C2CC2)CC1
InChIInChI=1S/C16H22ClN3O/c1-19-9-7-15(8-10-19)20(14-5-6-14)16(21)18-13-4-2-3-12(17)11-13/h2-4,11,14-15H,5-10H2,1H3,(H,18,21)
InChIKeyKYRMMDUDZSTRRP-UHFFFAOYSA-N
XLogP3.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea
CID 79115256
N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108895704
1-(1-acetylpiperidin-4-yl)-3-(3-chlorophenyl)-1-cyclohexylthiourea
CID 4230775
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944416
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706166
N-(3-chlorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46602371
1,1-bis[(2S)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 40636276
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea (CID 110874785) is 3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C(=O)Nc2cccc(Cl)c2)C2CC2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is KYRMMDUDZSTRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-19-9-7-15(8-10-19)20(14-5-6-14)16(21)18-13-4-2-3-12(17)11-13/h2-4,11,14-15H,5-10H2,1H3,(H,18,21).
What are the key properties of 3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea?
3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 307.82 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 110874785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).