N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide

C30H36N4O3 — CID 162644535

IUPACN-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide
SMILESCCC(=O)N(Cc1ccncc1)C1(C(=O)Nc2ccc(OC)cc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C30H36N4O3/c1-3-28(35)34(23-25-13-18-31-19-14-25)30(29(36)32-26-9-11-27(37-2)12-10-26)16-21-33(22-17-30)20-15-24-7-5-4-6-8-24/h4-14,18-19H,3,15-17,20-23H2,1-2H3,(H,32,36)
InChIKeyYICWVMVFCWIKME-UHFFFAOYSA-N
MW500.64 g/mol
LogP4.54
Rot. Bonds10

About N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide (PubChem CID 162644535) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide
PubChem CID162644535
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC NameN-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide
SMILESCCC(=O)N(Cc1ccncc1)C1(C(=O)Nc2ccc(OC)cc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C30H36N4O3/c1-3-28(35)34(23-25-13-18-31-19-14-25)30(29(36)32-26-9-11-27(37-2)12-10-26)16-21-33(22-17-30)20-15-24-7-5-4-6-8-24/h4-14,18-19H,3,15-17,20-23H2,1-2H3,(H,32,36)
InChIKeyYICWVMVFCWIKME-UHFFFAOYSA-N
XLogP4.54
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide (CID 162644535) is N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide is CCC(=O)N(Cc1ccncc1)C1(C(=O)Nc2ccc(OC)cc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide?
The InChIKey is YICWVMVFCWIKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-3-28(35)34(23-25-13-18-31-19-14-25)30(29(36)32-26-9-11-27(37-2)12-10-26)16-21-33(22-17-30)20-15-24-7-5-4-6-8-24/h4-14,18-19H,3,15-17,20-23H2,1-2H3,(H,32,36).
What are the key properties of N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(2-phenylethyl)-4-[propanoyl(pyridin-4-ylmethyl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 162644535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).