N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide

C19H30N4O — CID 45214329

IUPACN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
SMILESCN1CCC(N2CCCC(NC(=O)CCc3ccccn3)C2)CC1
InChIInChI=1S/C19H30N4O/c1-22-13-9-18(10-14-22)23-12-4-6-17(15-23)21-19(24)8-7-16-5-2-3-11-20-16/h2-3,5,11,17-18H,4,6-10,12-15H2,1H3,(H,21,24)
InChIKeyHVCYBVGIYLDCAP-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.69
Rot. Bonds5

About N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide (PubChem CID 45214329) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
PubChem CID45214329
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
SMILESCN1CCC(N2CCCC(NC(=O)CCc3ccccn3)C2)CC1
InChIInChI=1S/C19H30N4O/c1-22-13-9-18(10-14-22)23-12-4-6-17(15-23)21-19(24)8-7-16-5-2-3-11-20-16/h2-3,5,11,17-18H,4,6-10,12-15H2,1H3,(H,21,24)
InChIKeyHVCYBVGIYLDCAP-UHFFFAOYSA-N
XLogP1.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide (CID 45214329) is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide is CN1CCC(N2CCCC(NC(=O)CCc3ccccn3)C2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide?
The InChIKey is HVCYBVGIYLDCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-22-13-9-18(10-14-22)23-12-4-6-17(15-23)21-19(24)8-7-16-5-2-3-11-20-16/h2-3,5,11,17-18H,4,6-10,12-15H2,1H3,(H,21,24).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide?
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide has a molecular weight of 330.48 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 45214329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).