(3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide

C26H33N3O2 — CID 26355288

IUPAC(3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C([C@@H]1CCCN(c2ccccn2)C1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1
InChIInChI=1S/C26H33N3O2/c30-26(22-7-4-16-28(18-22)25-8-1-2-15-27-25)29(23-11-12-23)17-20-9-13-24(14-10-20)31-19-21-5-3-6-21/h1-2,8-10,13-15,21-23H,3-7,11-12,16-19H2/t22-/m1/s1
InChIKeyVFINBSKNUBMBDK-JOCHJYFZSA-N
MW419.57 g/mol
LogP4.67
Rot. Bonds8

About (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide

(3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 26355288) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID26355288
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name(3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C([C@@H]1CCCN(c2ccccn2)C1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1
InChIInChI=1S/C26H33N3O2/c30-26(22-7-4-16-28(18-22)25-8-1-2-15-27-25)29(23-11-12-23)17-20-9-13-24(14-10-20)31-19-21-5-3-6-21/h1-2,8-10,13-15,21-23H,3-7,11-12,16-19H2/t22-/m1/s1
InChIKeyVFINBSKNUBMBDK-JOCHJYFZSA-N
XLogP4.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
(1-pyridin-2-ylpiperidin-3-yl) cyclopropanecarboxylate
CID 166270436
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
N-(2-methoxyethyl)-1-pyridin-2-yl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
CID 77079060
N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide
CID 26352511
(3R)-N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 97436003
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 70737792
(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 29258017
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 92606124
[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95583542

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide (CID 26355288) is (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide is O=C([C@@H]1CCCN(c2ccccn2)C1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1.
What is the InChIKey of (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is VFINBSKNUBMBDK-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-26(22-7-4-16-28(18-22)25-8-1-2-15-27-25)29(23-11-12-23)17-20-9-13-24(14-10-20)31-19-21-5-3-6-21/h1-2,8-10,13-15,21-23H,3-7,11-12,16-19H2/t22-/m1/s1.
What are the key properties of (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 26355288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).