1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C27H29N3O3 — CID 55895787

IUPAC1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)COC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C27H29N3O3/c1-20-10-8-16-28-26(20)29-27(32)23-15-9-17-30(18-23)24(31)19-33-25(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-8,10-14,16,23,25H,9,15,17-19H2,1H3,(H,28,29,32)
InChIKeyDCRDGXWSDAHJLW-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.37
Rot. Bonds7

About 1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55895787) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55895787
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)COC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C27H29N3O3/c1-20-10-8-16-28-26(20)29-27(32)23-15-9-17-30(18-23)24(31)19-33-25(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-8,10-14,16,23,25H,9,15,17-19H2,1H3,(H,28,29,32)
InChIKeyDCRDGXWSDAHJLW-UHFFFAOYSA-N
XLogP4.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
CID 49403155
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414
1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895664
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
CID 55896428
1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896170
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55957937
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide
CID 55895162
N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide
CID 55896049

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55895787) is 1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)COC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is DCRDGXWSDAHJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-20-10-8-16-28-26(20)29-27(32)23-15-9-17-30(18-23)24(31)19-33-25(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-8,10-14,16,23,25H,9,15,17-19H2,1H3,(H,28,29,32).
What are the key properties of 1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55895787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).