N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide

C15H21ClN2O2 — CID 90505510

IUPACN-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-20-11-13-3-2-8-18(10-13)15(19)17-9-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-11H2,1H3,(H,17,19)
InChIKeySJHQPMRMTIJQBL-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.91
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide

N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 90505510) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
PubChem CID90505510
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-20-11-13-3-2-8-18(10-13)15(19)17-9-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-11H2,1H3,(H,17,19)
InChIKeySJHQPMRMTIJQBL-UHFFFAOYSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
(3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide
CID 124885026
methyl 4-[(4-chlorophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 108899356
(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide
CID 56909428
(3S)-3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97283033
3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 72920634
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea
CID 119396282
(3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 97316982
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide (CID 90505510) is N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide is COCC1CCCN(C(=O)NCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is SJHQPMRMTIJQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-20-11-13-3-2-8-18(10-13)15(19)17-9-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-11H2,1H3,(H,17,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 90505510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).