(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide

C18H27N3O2 — CID 95204110

IUPAC(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESCOCC1(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)CCCC1
InChIInChI=1S/C18H27N3O2/c1-23-14-18(9-3-4-10-18)20-17(22)15-7-6-12-21(13-15)16-8-2-5-11-19-16/h2,5,8,11,15H,3-4,6-7,9-10,12-14H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyZDCSRUTVHNETJQ-OAHLLOKOSA-N
MW317.43 g/mol
LogP2.37
Rot. Bonds5

About (3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide

(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 95204110) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID95204110
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESCOCC1(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)CCCC1
InChIInChI=1S/C18H27N3O2/c1-23-14-18(9-3-4-10-18)20-17(22)15-7-6-12-21(13-15)16-8-2-5-11-19-16/h2,5,8,11,15H,3-4,6-7,9-10,12-14H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyZDCSRUTVHNETJQ-OAHLLOKOSA-N
XLogP2.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide (CID 95204110) is (3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide is COCC1(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)CCCC1.
What is the InChIKey of (3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZDCSRUTVHNETJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-23-14-18(9-3-4-10-18)20-17(22)15-7-6-12-21(13-15)16-8-2-5-11-19-16/h2,5,8,11,15H,3-4,6-7,9-10,12-14H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 95204110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).