1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C19H27N3O3 — CID 60506587

IUPAC1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(C(=O)COC2CCCC2)CC1
InChIInChI=1S/C19H27N3O3/c23-18(14-25-17-5-1-2-6-17)22-10-7-16(8-11-22)19(24)21-13-15-4-3-9-20-12-15/h3-4,9,12,16-17H,1-2,5-8,10-11,13-14H2,(H,21,24)
InChIKeySNIBURWWVXZHSS-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.90
Rot. Bonds6

About 1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 60506587) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID60506587
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(C(=O)COC2CCCC2)CC1
InChIInChI=1S/C19H27N3O3/c23-18(14-25-17-5-1-2-6-17)22-10-7-16(8-11-22)19(24)21-13-15-4-3-9-20-12-15/h3-4,9,12,16-17H,1-2,5-8,10-11,13-14H2,(H,21,24)
InChIKeySNIBURWWVXZHSS-UHFFFAOYSA-N
XLogP1.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-[2-(2-methoxyphenyl)acetyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46600585
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(3R)-1-[1-(3-hydroxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95215208
1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55690688
1-[1-(3-methylpentanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 45230403
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 98763014

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 60506587) is 1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(C(=O)COC2CCCC2)CC1.
What is the InChIKey of 1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SNIBURWWVXZHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(14-25-17-5-1-2-6-17)22-10-7-16(8-11-22)19(24)21-13-15-4-3-9-20-12-15/h3-4,9,12,16-17H,1-2,5-8,10-11,13-14H2,(H,21,24).
What are the key properties of 1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60506587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).