N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide

C28H37N3O2 — CID 92577230

IUPACN-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
SMILESO=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1
InChIInChI=1S/C28H37N3O2/c32-28(22-9-6-10-22)30-27(26-15-3-4-16-29-26)23-11-7-17-31(20-23)19-21-8-5-14-25(18-21)33-24-12-1-2-13-24/h3-5,8,14-16,18,22-24,27H,1-2,6-7,9-13,17,19-20H2,(H,30,32)/t23-,27-/m1/s1
InChIKeyIJYQIGXWGGCOGZ-YIXXDRMTSA-N
MW447.62 g/mol
LogP5.27
Rot. Bonds8

About N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide

N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide (PubChem CID 92577230) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
PubChem CID92577230
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
SMILESO=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1
InChIInChI=1S/C28H37N3O2/c32-28(22-9-6-10-22)30-27(26-15-3-4-16-29-26)23-11-7-17-31(20-23)19-21-8-5-14-25(18-21)33-24-12-1-2-13-24/h3-5,8,14-16,18,22-24,27H,1-2,6-7,9-13,17,19-20H2,(H,30,32)/t23-,27-/m1/s1
InChIKeyIJYQIGXWGGCOGZ-YIXXDRMTSA-N
XLogP5.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 92569528
N-[(S)-[(3S)-1-[(6-methoxynaphthalen-2-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 95795545
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739
N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
2-phenyl-N-[(R)-pyridin-2-yl-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574472
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574475
N-[[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215598
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 154793860
N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110229233
N-[(R)-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551929
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423496
(3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 95234307

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
The IUPAC name of N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide (CID 92577230) is N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide is O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1.
What is the InChIKey of N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
The InChIKey is IJYQIGXWGGCOGZ-YIXXDRMTSA-N. The full InChI is InChI=1S/C28H37N3O2/c32-28(22-9-6-10-22)30-27(26-15-3-4-16-29-26)23-11-7-17-31(20-23)19-21-8-5-14-25(18-21)33-24-12-1-2-13-24/h3-5,8,14-16,18,22-24,27H,1-2,6-7,9-13,17,19-20H2,(H,30,32)/t23-,27-/m1/s1.
What are the key properties of N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide has a molecular weight of 447.62 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide is sourced from PubChem (CID 92577230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).