N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C22H27N3O4 — CID 55659546

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccnc(OC2CCCC2)c1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H27N3O4/c26-21(17-6-10-25(11-7-17)22(27)18-8-12-28-15-18)24-14-16-5-9-23-20(13-16)29-19-3-1-2-4-19/h5,8-9,12-13,15,17,19H,1-4,6-7,10-11,14H2,(H,24,26)
InChIKeyYCOSKEHQYSFQNN-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.16
Rot. Bonds6

About N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 55659546) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID55659546
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccnc(OC2CCCC2)c1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H27N3O4/c26-21(17-6-10-25(11-7-17)22(27)18-8-12-28-15-18)24-14-16-5-9-23-20(13-16)29-19-3-1-2-4-19/h5,8-9,12-13,15,17,19H,1-4,6-7,10-11,14H2,(H,24,26)
InChIKeyYCOSKEHQYSFQNN-UHFFFAOYSA-N
XLogP3.16
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-3-carbonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35676446
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 94170855
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114503
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide
CID 95316935
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
N-[(2-methoxy-4-pyridinyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18205211
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822564
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55888074

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 55659546) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccnc(OC2CCCC2)c1)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is YCOSKEHQYSFQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-21(17-6-10-25(11-7-17)22(27)18-8-12-28-15-18)24-14-16-5-9-23-20(13-16)29-19-3-1-2-4-19/h5,8-9,12-13,15,17,19H,1-4,6-7,10-11,14H2,(H,24,26).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55659546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).