N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide

C21H32N4O2 — CID 133354738

IUPACN-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(c2ccc(C(=O)N3CCC(C)CC3)cn2)C1
InChIInChI=1S/C21H32N4O2/c1-3-5-20(26)23-18-6-4-11-25(15-18)19-8-7-17(14-22-19)21(27)24-12-9-16(2)10-13-24/h7-8,14,16,18H,3-6,9-13,15H2,1-2H3,(H,23,26)
InChIKeyZNFJAOGKYLLWOX-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.84
Rot. Bonds5

About N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide

N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide (PubChem CID 133354738) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide
PubChem CID133354738
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(c2ccc(C(=O)N3CCC(C)CC3)cn2)C1
InChIInChI=1S/C21H32N4O2/c1-3-5-20(26)23-18-6-4-11-25(15-18)19-8-7-17(14-22-19)21(27)24-12-9-16(2)10-13-24/h7-8,14,16,18H,3-6,9-13,15H2,1-2H3,(H,23,26)
InChIKeyZNFJAOGKYLLWOX-UHFFFAOYSA-N
XLogP2.84
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide?
The IUPAC name of N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide (CID 133354738) is N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(c2ccc(C(=O)N3CCC(C)CC3)cn2)C1.
What is the InChIKey of N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide?
The InChIKey is ZNFJAOGKYLLWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-5-20(26)23-18-6-4-11-25(15-18)19-8-7-17(14-22-19)21(27)24-12-9-16(2)10-13-24/h7-8,14,16,18H,3-6,9-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide?
N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide has a molecular weight of 372.51 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide is sourced from PubChem (CID 133354738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).