N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide

C19H29N3O2 — CID 171690391

IUPACN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide
SMILESCOc1c(C)cnc(CN2CCCC(NC(=O)C3CCC3)C2)c1C
InChIInChI=1S/C19H29N3O2/c1-13-10-20-17(14(2)18(13)24-3)12-22-9-5-8-16(11-22)21-19(23)15-6-4-7-15/h10,15-16H,4-9,11-12H2,1-3H3,(H,21,23)
InChIKeyIKNSPMIQYOWPAW-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.59
Rot. Bonds5

About N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide

N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide (PubChem CID 171690391) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide
PubChem CID171690391
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide
SMILESCOc1c(C)cnc(CN2CCCC(NC(=O)C3CCC3)C2)c1C
InChIInChI=1S/C19H29N3O2/c1-13-10-20-17(14(2)18(13)24-3)12-22-9-5-8-16(11-22)21-19(23)15-6-4-7-15/h10,15-16H,4-9,11-12H2,1-3H3,(H,21,23)
InChIKeyIKNSPMIQYOWPAW-UHFFFAOYSA-N
XLogP2.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
CID 56824166
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 163356436
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 95182196
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172901067
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 56804774
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]methanone
CID 172880976
2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 80691461
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
CID 155980410
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62028233

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide (CID 171690391) is N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide is COc1c(C)cnc(CN2CCCC(NC(=O)C3CCC3)C2)c1C.
What is the InChIKey of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide?
The InChIKey is IKNSPMIQYOWPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13-10-20-17(14(2)18(13)24-3)12-22-9-5-8-16(11-22)21-19(23)15-6-4-7-15/h10,15-16H,4-9,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide?
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 171690391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).