(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide

C18H27N3O3 — CID 95316935

IUPAC(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide
SMILESCO[C@@H]1CCCN(C(=O)NCc2ccnc(OC3CCCC3)c2)C1
InChIInChI=1S/C18H27N3O3/c1-23-16-7-4-10-21(13-16)18(22)20-12-14-8-9-19-17(11-14)24-15-5-2-3-6-15/h8-9,11,15-16H,2-7,10,12-13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyQPDZYUMLXRHYDH-MRXNPFEDSA-N
MW333.43 g/mol
LogP2.72
Rot. Bonds5

About (3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide

(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide (PubChem CID 95316935) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide
PubChem CID95316935
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide
SMILESCO[C@@H]1CCCN(C(=O)NCc2ccnc(OC3CCCC3)c2)C1
InChIInChI=1S/C18H27N3O3/c1-23-16-7-4-10-21(13-16)18(22)20-12-14-8-9-19-17(11-14)24-15-5-2-3-6-15/h8-9,11,15-16H,2-7,10,12-13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyQPDZYUMLXRHYDH-MRXNPFEDSA-N
XLogP2.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114503
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 102962931
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261615
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111745645
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
CID 38348110
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypiperidine-1-carboxamide
CID 91627929

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide (CID 95316935) is (3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide is CO[C@@H]1CCCN(C(=O)NCc2ccnc(OC3CCCC3)c2)C1.
What is the InChIKey of (3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide?
The InChIKey is QPDZYUMLXRHYDH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-23-16-7-4-10-21(13-16)18(22)20-12-14-8-9-19-17(11-14)24-15-5-2-3-6-15/h8-9,11,15-16H,2-7,10,12-13H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide?
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 95316935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).