N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide

C21H32ClN3O2 — CID 155153060

IUPACN-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide
SMILESCC(C)(O)C1CCC(C(=O)NC2CCC(Cc3cccc(Cl)c3)CN2)CN1
InChIInChI=1S/C21H32ClN3O2/c1-21(2,27)18-8-7-16(13-23-18)20(26)25-19-9-6-15(12-24-19)10-14-4-3-5-17(22)11-14/h3-5,11,15-16,18-19,23-24,27H,6-10,12-13H2,1-2H3,(H,25,26)
InChIKeyAYBFDKXRNDCSJW-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.46
Rot. Bonds5

About N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide

N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide (PubChem CID 155153060) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide
PubChem CID155153060
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC NameN-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide
SMILESCC(C)(O)C1CCC(C(=O)NC2CCC(Cc3cccc(Cl)c3)CN2)CN1
InChIInChI=1S/C21H32ClN3O2/c1-21(2,27)18-8-7-16(13-23-18)20(26)25-19-9-6-15(12-24-19)10-14-4-3-5-17(22)11-14/h3-5,11,15-16,18-19,23-24,27H,6-10,12-13H2,1-2H3,(H,25,26)
InChIKeyAYBFDKXRNDCSJW-UHFFFAOYSA-N
XLogP2.46
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 155153161
3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea
CID 142001111
1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea
CID 70195927
1-[[(2S,5S)-5-benzylpiperidin-2-yl]methyl]-3-(3-chlorophenyl)urea
CID 22966140
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide
CID 139522091
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide
CID 155152936
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
CID 170579151

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide (CID 155153060) is N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide is CC(C)(O)C1CCC(C(=O)NC2CCC(Cc3cccc(Cl)c3)CN2)CN1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide?
The InChIKey is AYBFDKXRNDCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3O2/c1-21(2,27)18-8-7-16(13-23-18)20(26)25-19-9-6-15(12-24-19)10-14-4-3-5-17(22)11-14/h3-5,11,15-16,18-19,23-24,27H,6-10,12-13H2,1-2H3,(H,25,26).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide?
N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide has a molecular weight of 393.96 g/mol, XLogP of 2.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 155153060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).