N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

C19H25ClN2O3 — CID 113005952

IUPACN-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H25ClN2O3/c20-16-4-1-3-14(13-16)6-9-21-18(23)15-7-10-22(11-8-15)19(24)17-5-2-12-25-17/h1,3-4,13,15,17H,2,5-12H2,(H,21,23)
InChIKeyZZACQXHLZKDNDL-UHFFFAOYSA-N
MW364.87 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 113005952) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
PubChem CID113005952
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H25ClN2O3/c20-16-4-1-3-14(13-16)6-9-21-18(23)15-7-10-22(11-8-15)19(24)17-5-2-12-25-17/h1,3-4,13,15,17H,2,5-12H2,(H,21,23)
InChIKeyZZACQXHLZKDNDL-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(3-chlorophenyl)ethyl]-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146941
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113005954
N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131872
N'-[(3-chlorophenyl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300851
1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
CID 91844312
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008613
3-[2-(oxane-2-carbonylamino)ethyl]benzoic acid
CID 63795107
N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994281
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
CID 90729185

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (CID 113005952) is N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is O=C(NCCc1cccc(Cl)c1)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZZACQXHLZKDNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c20-16-4-1-3-14(13-16)6-9-21-18(23)15-7-10-22(11-8-15)19(24)17-5-2-12-25-17/h1,3-4,13,15,17H,2,5-12H2,(H,21,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 364.87 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).