N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide

C15H21ClN2O3 — CID 136518198

IUPACN-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1(O)CCN(C(=O)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C15H21ClN2O3/c1-11-9-12(16)3-4-13(11)17-14(19)18-7-5-15(20,6-8-18)10-21-2/h3-4,9,20H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyRQHWALUGQPUBJJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.65
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide

N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 136518198) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide
PubChem CID136518198
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1(O)CCN(C(=O)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C15H21ClN2O3/c1-11-9-12(16)3-4-13(11)17-14(19)18-7-5-15(20,6-8-18)10-21-2/h3-4,9,20H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyRQHWALUGQPUBJJ-UHFFFAOYSA-N
XLogP2.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993
N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
CID 136553187
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123416
N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728446
N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide
CID 154861542
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
CID 95299451
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207
ethyl 4-[1-[(4-chloro-2-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978716
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide (CID 136518198) is N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide is COCC1(O)CCN(C(=O)Nc2ccc(Cl)cc2C)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is RQHWALUGQPUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11-9-12(16)3-4-13(11)17-14(19)18-7-5-15(20,6-8-18)10-21-2/h3-4,9,20H,5-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 136518198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).