N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide

C35H44ClN3O2 — CID 70099387

IUPACN-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H44ClN3O2/c36-32-14-12-31(13-15-32)35(41)19-24-39(25-20-35)23-7-18-34(29-8-3-1-4-9-29,30-10-5-2-6-11-30)27-38-33(40)26-28-16-21-37-22-17-28/h1-6,8-15,28,37,41H,7,16-27H2,(H,38,40)
InChIKeyYMHSXESHKZRQLV-UHFFFAOYSA-N
MW574.21 g/mol
LogP5.90
Rot. Bonds11

About N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide

N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide (PubChem CID 70099387) has the molecular formula C35H44ClN3O2 and a molecular weight of 574.21 g/mol. Its IUPAC name is N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide
PubChem CID70099387
Molecular FormulaC35H44ClN3O2
Molecular Weight574.21 g/mol
Exact Mass573.31
IUPAC NameN-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H44ClN3O2/c36-32-14-12-31(13-15-32)35(41)19-24-39(25-20-35)23-7-18-34(29-8-3-1-4-9-29,30-10-5-2-6-11-30)27-38-33(40)26-28-16-21-37-22-17-28/h1-6,8-15,28,37,41H,7,16-27H2,(H,38,40)
InChIKeyYMHSXESHKZRQLV-UHFFFAOYSA-N
XLogP5.90
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.21
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide (CID 70099387) is N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide?
The InChIKey is YMHSXESHKZRQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44ClN3O2/c36-32-14-12-31(13-15-32)35(41)19-24-39(25-20-35)23-7-18-34(29-8-3-1-4-9-29,30-10-5-2-6-11-30)27-38-33(40)26-28-16-21-37-22-17-28/h1-6,8-15,28,37,41H,7,16-27H2,(H,38,40).
What are the key properties of N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide?
N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide has a molecular weight of 574.21 g/mol, XLogP of 5.90, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 70099387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).