N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide

C16H22ClN3O3 — CID 108883600

IUPACN-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide
SMILESO=C(NCCCOc1ccccc1Cl)NC(=O)C1CCNCC1
InChIInChI=1S/C16H22ClN3O3/c17-13-4-1-2-5-14(13)23-11-3-8-19-16(22)20-15(21)12-6-9-18-10-7-12/h1-2,4-5,12,18H,3,6-11H2,(H2,19,20,21,22)
InChIKeyLDAWOFQTVKTMRF-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.93
Rot. Bonds6

About N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide

N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide (PubChem CID 108883600) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide
PubChem CID108883600
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide
SMILESO=C(NCCCOc1ccccc1Cl)NC(=O)C1CCNCC1
InChIInChI=1S/C16H22ClN3O3/c17-13-4-1-2-5-14(13)23-11-3-8-19-16(22)20-15(21)12-6-9-18-10-7-12/h1-2,4-5,12,18H,3,6-11H2,(H2,19,20,21,22)
InChIKeyLDAWOFQTVKTMRF-UHFFFAOYSA-N
XLogP1.93
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
CID 108897742
1-[3-(2-chlorophenoxy)propyl]-3-(2-cyanoethyl)urea
CID 108883678
1-[3-(2-chlorophenoxy)propyl]-3-(1-hydroxybutan-2-yl)urea
CID 108883517
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382
4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673180
1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883684
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
tert-butyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883686

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide (CID 108883600) is N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide is O=C(NCCCOc1ccccc1Cl)NC(=O)C1CCNCC1.
What is the InChIKey of N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide?
The InChIKey is LDAWOFQTVKTMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c17-13-4-1-2-5-14(13)23-11-3-8-19-16(22)20-15(21)12-6-9-18-10-7-12/h1-2,4-5,12,18H,3,6-11H2,(H2,19,20,21,22).
What are the key properties of N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide?
N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide is sourced from PubChem (CID 108883600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).