N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C21H25ClN2O2 — CID 30876673

IUPACN-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-19-8-6-17(7-9-19)14-21(16-25)10-12-24(13-11-21)20(26)23-15-18-4-2-1-3-5-18/h1-9,25H,10-16H2,(H,23,26)
InChIKeyASPZMDLRQRBALC-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.87
Rot. Bonds5

About N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 30876673) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID30876673
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-19-8-6-17(7-9-19)14-21(16-25)10-12-24(13-11-21)20(26)23-15-18-4-2-1-3-5-18/h1-9,25H,10-16H2,(H,23,26)
InChIKeyASPZMDLRQRBALC-UHFFFAOYSA-N
XLogP3.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-N-(2,4-dichlorobenzyl)-4-hydroxypiperidine-1-carboxamide
CID 24748090
3-[(1S)-1-(4-chlorophenyl)ethyl]-9-hydroxy-1,3-diazaspiro[5.5]undecan-2-one
CID 56595806
N-benzyl-4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxamide
CID 16190976
4-benzyl-N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 16187775
[4-(4-Chlorobenzyl)-1-(2-fluorobenzyl)-4-piperidinyl]methanol
CID 16188990
N-(tert-butyl)-4-(2-chlorobenzyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 16190163
[4-(4-Chlorobenzyl)-1-(3,4-difluorobenzyl)piperidin-4-yl]methanol
CID 16190744
N-benzyl-4-(3-fluorobenzyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 16190463
N-allyl-4-(4-chlorobenzyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 16191962
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528802
N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 99170616
1-(4-Chlorobenzyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 56765325

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 30876673) is N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is ASPZMDLRQRBALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-19-8-6-17(7-9-19)14-21(16-25)10-12-24(13-11-21)20(26)23-15-18-4-2-1-3-5-18/h1-9,25H,10-16H2,(H,23,26).
What are the key properties of N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 30876673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).