N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide

C13H16ClFN2O3 — CID 136553187

IUPACN-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)N1CCC(O)(CO)CC1
InChIInChI=1S/C13H16ClFN2O3/c14-9-1-2-11(10(15)7-9)16-12(19)17-5-3-13(20,8-18)4-6-17/h1-2,7,18,20H,3-6,8H2,(H,16,19)
InChIKeyVJEQHYBXNALNSG-UHFFFAOYSA-N
MW302.73 g/mol
LogP1.83
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide

N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 136553187) has the molecular formula C13H16ClFN2O3 and a molecular weight of 302.73 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID136553187
Molecular FormulaC13H16ClFN2O3
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)N1CCC(O)(CO)CC1
InChIInChI=1S/C13H16ClFN2O3/c14-9-1-2-11(10(15)7-9)16-12(19)17-5-3-13(20,8-18)4-6-17/h1-2,7,18,20H,3-6,8H2,(H,16,19)
InChIKeyVJEQHYBXNALNSG-UHFFFAOYSA-N
XLogP1.83
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-(2,4-dichloro-5-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)azepane-1-carboxamide
CID 97445518
N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide
CID 136518198
1-[(4-chloro-2-fluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136853
4-(benzenesulfonyl)-N-(4-chloro-2-fluorophenyl)piperazine-1-carboxamide
CID 17249913
N-(4-chloro-2-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432127
1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123416
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304661
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
4-(4-chlorobenzoyl)-N-(2,4-difluorophenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3881724
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide (CID 136553187) is N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1F)N1CCC(O)(CO)CC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is VJEQHYBXNALNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3/c14-9-1-2-11(10(15)7-9)16-12(19)17-5-3-13(20,8-18)4-6-17/h1-2,7,18,20H,3-6,8H2,(H,16,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 302.73 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 136553187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).