N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide

C17H23Cl2N3O — CID 3239572

IUPACN-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H23Cl2N3O/c18-15-5-4-13(12-16(15)19)20-17(23)22-10-6-14(7-11-22)21-8-2-1-3-9-21/h4-5,12,14H,1-3,6-11H2,(H,20,23)
InChIKeyOXSJZCABCYZGKM-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.48
Rot. Bonds2

About N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide

N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide (PubChem CID 3239572) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide
PubChem CID3239572
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC NameN-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H23Cl2N3O/c18-15-5-4-13(12-16(15)19)20-17(23)22-10-6-14(7-11-22)21-8-2-1-3-9-21/h4-5,12,14H,1-3,6-11H2,(H,20,23)
InChIKeyOXSJZCABCYZGKM-UHFFFAOYSA-N
XLogP4.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide (CID 3239572) is N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide?
The InChIKey is OXSJZCABCYZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c18-15-5-4-13(12-16(15)19)20-17(23)22-10-6-14(7-11-22)21-8-2-1-3-9-21/h4-5,12,14H,1-3,6-11H2,(H,20,23).
What are the key properties of N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-piperidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 3239572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).