N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide

C23H29ClN4O3 — CID 46381799

IUPACN-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H29ClN4O3/c1-16-6-7-21(31-2)20(14-16)27-22(29)25-11-8-17-9-12-28(13-10-17)23(30)26-19-5-3-4-18(24)15-19/h3-7,14-15,17H,8-13H2,1-2H3,(H,26,30)(H2,25,27,29)
InChIKeyFHHIWRKZDIHOOM-UHFFFAOYSA-N
MW444.96 g/mol
LogP5.11
Rot. Bonds6

About N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide

N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide (PubChem CID 46381799) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide
PubChem CID46381799
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC NameN-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H29ClN4O3/c1-16-6-7-21(31-2)20(14-16)27-22(29)25-11-8-17-9-12-28(13-10-17)23(30)26-19-5-3-4-18(24)15-19/h3-7,14-15,17H,8-13H2,1-2H3,(H,26,30)(H2,25,27,29)
InChIKeyFHHIWRKZDIHOOM-UHFFFAOYSA-N
XLogP5.11
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.96
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide (CID 46381799) is N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide is COc1ccc(C)cc1NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide?
The InChIKey is FHHIWRKZDIHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-16-6-7-21(31-2)20(14-16)27-22(29)25-11-8-17-9-12-28(13-10-17)23(30)26-19-5-3-4-18(24)15-19/h3-7,14-15,17H,8-13H2,1-2H3,(H,26,30)(H2,25,27,29).
What are the key properties of N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide has a molecular weight of 444.96 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).