N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide

C20H23ClN2O2 — CID 58933474

IUPACN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
SMILESO=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C20H23ClN2O2/c21-18-5-1-16(2-6-18)14-23-11-9-15(10-12-23)13-22-20(25)17-3-7-19(24)8-4-17/h1-8,15,24H,9-14H2,(H,22,25)
InChIKeyOWPCRVVNAKWTCC-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.69
Rot. Bonds5

About N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide

N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide (PubChem CID 58933474) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
PubChem CID58933474
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
SMILESO=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C20H23ClN2O2/c21-18-5-1-16(2-6-18)14-23-11-9-15(10-12-23)13-22-20(25)17-3-7-19(24)8-4-17/h1-8,15,24H,9-14H2,(H,22,25)
InChIKeyOWPCRVVNAKWTCC-UHFFFAOYSA-N
XLogP3.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
CID 508768
(2S)-2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-hydroxypropanamide
CID 69214587
ethyl 5-amino-1-[4-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363442
2-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1,3-benzoxazole-6-carboxamide
CID 53089368
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
(E)-3-[4-[(1-benzylpiperidin-4-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 175172599
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 146078077
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 23609169
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60600387
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
4-(1,3-dithian-2-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]benzamide
CID 86896852

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide (CID 58933474) is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide is O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(O)cc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide?
The InChIKey is OWPCRVVNAKWTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-18-5-1-16(2-6-18)14-23-11-9-15(10-12-23)13-22-20(25)17-3-7-19(24)8-4-17/h1-8,15,24H,9-14H2,(H,22,25).
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide?
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide has a molecular weight of 358.87 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide is sourced from PubChem (CID 58933474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).