N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C30H35N3O3 — CID 55876010

IUPACN-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C30H35N3O3/c1-2-24-10-12-25(13-11-24)22-33(23-26-7-6-17-31-21-26)30(35)27-14-18-32(19-15-27)29(34)16-20-36-28-8-4-3-5-9-28/h3-13,17,21,27H,2,14-16,18-20,22-23H2,1H3
InChIKeyLBTPGHBAFRHNFM-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.88
Rot. Bonds10

About N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 55876010) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID55876010
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C30H35N3O3/c1-2-24-10-12-25(13-11-24)22-33(23-26-7-6-17-31-21-26)30(35)27-14-18-32(19-15-27)29(34)16-20-36-28-8-4-3-5-9-28/h3-13,17,21,27H,2,14-16,18-20,22-23H2,1H3
InChIKeyLBTPGHBAFRHNFM-UHFFFAOYSA-N
XLogP4.88
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 33324992
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 55860208
N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55855912
N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901386
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 55595750
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42516784
2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
CID 119195099
2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119228405

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 55876010) is N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CCc1ccc(CN(Cc2cccnc2)C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LBTPGHBAFRHNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-2-24-10-12-25(13-11-24)22-33(23-26-7-6-17-31-21-26)30(35)27-14-18-32(19-15-27)29(34)16-20-36-28-8-4-3-5-9-28/h3-13,17,21,27H,2,14-16,18-20,22-23H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55876010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).