N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide

C18H23ClN2O3 — CID 113007205

IUPACN-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C18H23ClN2O3/c19-15-1-3-16(4-2-15)20-17(22)13-5-9-21(10-6-13)18(23)14-7-11-24-12-8-14/h1-4,13-14H,5-12H2,(H,20,22)
InChIKeyDYDIIESVLRRLAW-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.94
Rot. Bonds3

About N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide

N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide (PubChem CID 113007205) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
PubChem CID113007205
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C18H23ClN2O3/c19-15-1-3-16(4-2-15)20-17(22)13-5-9-21(10-6-13)18(23)14-7-11-24-12-8-14/h1-4,13-14H,5-12H2,(H,20,22)
InChIKeyDYDIIESVLRRLAW-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007421
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147556
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
1-(oxane-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007795
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide
CID 89385474
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 100522699
N-[4-(3-chloro-4-fluoroanilino)phenyl]oxane-4-carboxamide
CID 112987167
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide (CID 113007205) is N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is DYDIIESVLRRLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c19-15-1-3-16(4-2-15)20-17(22)13-5-9-21(10-6-13)18(23)14-7-11-24-12-8-14/h1-4,13-14H,5-12H2,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).