3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide

C17H25N3O2 — CID 90521307

IUPAC3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
SMILESCC(C)CC(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(2)10-16(21)19-11-14-5-8-20(9-6-14)17(22)15-4-3-7-18-12-15/h3-4,7,12-14H,5-6,8-11H2,1-2H3,(H,19,21)
InChIKeyYBRMOIMHXXGDSZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.10
Rot. Bonds5

About 3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide

3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide (PubChem CID 90521307) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
PubChem CID90521307
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
SMILESCC(C)CC(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(2)10-16(21)19-11-14-5-8-20(9-6-14)17(22)15-4-3-7-18-12-15/h3-4,7,12-14H,5-6,8-11H2,1-2H3,(H,19,21)
InChIKeyYBRMOIMHXXGDSZ-UHFFFAOYSA-N
XLogP2.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
(E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide
CID 108924865
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
2-benzylsulfanyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 71786523
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924693
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 90521329
2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924733

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of 3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide (CID 90521307) is 3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for 3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide is CC(C)CC(=O)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide?
The InChIKey is YBRMOIMHXXGDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)10-16(21)19-11-14-5-8-20(9-6-14)17(22)15-4-3-7-18-12-15/h3-4,7,12-14H,5-6,8-11H2,1-2H3,(H,19,21).
What are the key properties of 3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide?
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide has a molecular weight of 303.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 90521307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).