1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide

C26H29N3O3 — CID 60563088

IUPAC1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(Cc3ccccc3)C2)cc1OCc1cccnc1
InChIInChI=1S/C26H29N3O3/c1-31-24-12-11-23(15-25(24)32-19-21-9-5-13-27-16-21)28-26(30)22-10-6-14-29(18-22)17-20-7-3-2-4-8-20/h2-5,7-9,11-13,15-16,22H,6,10,14,17-19H2,1H3,(H,28,30)
InChIKeyLMWZMTKHJCMQJD-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.52
Rot. Bonds8

About 1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide

1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 60563088) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
PubChem CID60563088
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(Cc3ccccc3)C2)cc1OCc1cccnc1
InChIInChI=1S/C26H29N3O3/c1-31-24-12-11-23(15-25(24)32-19-21-9-5-13-27-16-21)28-26(30)22-10-6-14-29(18-22)17-20-7-3-2-4-8-20/h2-5,7-9,11-13,15-16,22H,6,10,14,17-19H2,1H3,(H,28,30)
InChIKeyLMWZMTKHJCMQJD-UHFFFAOYSA-N
XLogP4.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 46480295
(2S)-1-acetyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 51942540
(2R)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 38625488
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46445950
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
(2S)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55938908
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95345095
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide (CID 60563088) is 1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(Cc3ccccc3)C2)cc1OCc1cccnc1.
What is the InChIKey of 1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is LMWZMTKHJCMQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-31-24-12-11-23(15-25(24)32-19-21-9-5-13-27-16-21)28-26(30)22-10-6-14-29(18-22)17-20-7-3-2-4-8-20/h2-5,7-9,11-13,15-16,22H,6,10,14,17-19H2,1H3,(H,28,30).
What are the key properties of 1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide?
1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 60563088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).