5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen

C28H39Cl2N5O — CID 158191635

IUPAC5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen
SMILESO=C(NC1CCCCC1)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1.[H][H]
InChIInChI=1S/C28H37Cl2N5O.H2/c29-23-8-6-21(7-9-23)20-33-12-10-25(11-13-33)34-14-16-35(17-15-34)27-26(30)18-22(19-31-27)28(36)32-24-4-2-1-3-5-24;/h6-9,18-19,24-25H,1-5,10-17,20H2,(H,32,36);1H
InChIKeyFZVFPOUINXJNLM-UHFFFAOYSA-N
MW532.56 g/mol
LogP5.48
Rot. Bonds6

About 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen

5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen (PubChem CID 158191635) has the molecular formula C28H39Cl2N5O and a molecular weight of 532.56 g/mol. Its IUPAC name is 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen
PubChem CID158191635
Molecular FormulaC28H39Cl2N5O
Molecular Weight532.56 g/mol
Exact Mass531.25
IUPAC Name5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen
SMILESO=C(NC1CCCCC1)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1.[H][H]
InChIInChI=1S/C28H37Cl2N5O.H2/c29-23-8-6-21(7-9-23)20-33-12-10-25(11-13-33)34-14-16-35(17-15-34)27-26(30)18-22(19-31-27)28(36)32-24-4-2-1-3-5-24;/h6-9,18-19,24-25H,1-5,10-17,20H2,(H,32,36);1H
InChIKeyFZVFPOUINXJNLM-UHFFFAOYSA-N
XLogP5.48
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.56
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen (CID 158191635) is 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen is O=C(NC1CCCCC1)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1.[H][H].
What is the InChIKey of 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen?
The InChIKey is FZVFPOUINXJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37Cl2N5O.H2/c29-23-8-6-21(7-9-23)20-33-12-10-25(11-13-33)34-14-16-35(17-15-34)27-26(30)18-22(19-31-27)28(36)32-24-4-2-1-3-5-24;/h6-9,18-19,24-25H,1-5,10-17,20H2,(H,32,36);1H.
What are the key properties of 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen?
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen has a molecular weight of 532.56 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158191635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).