N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

C17H25ClN2O3 — CID 111424834

IUPACN-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCCCOc1ccc(NC(=O)N2CCC(C(C)O)CC2)cc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-3-10-23-16-5-4-14(11-15(16)18)19-17(22)20-8-6-13(7-9-20)12(2)21/h4-5,11-13,21H,3,6-10H2,1-2H3,(H,19,22)
InChIKeyYDCGNNZGIMASIJ-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.75
Rot. Bonds5

About N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111424834) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111424834
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCCCOc1ccc(NC(=O)N2CCC(C(C)O)CC2)cc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-3-10-23-16-5-4-14(11-15(16)18)19-17(22)20-8-6-13(7-9-20)12(2)21/h4-5,11-13,21H,3,6-10H2,1-2H3,(H,19,22)
InChIKeyYDCGNNZGIMASIJ-UHFFFAOYSA-N
XLogP3.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide
CID 131937126
N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 55695184
4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 53057885
3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110896948
N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111112986
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 60554267

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111424834) is N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is CCCOc1ccc(NC(=O)N2CCC(C(C)O)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is YDCGNNZGIMASIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-3-10-23-16-5-4-14(11-15(16)18)19-17(22)20-8-6-13(7-9-20)12(2)21/h4-5,11-13,21H,3,6-10H2,1-2H3,(H,19,22).
What are the key properties of N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111424834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).