1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C19H28N4O3 — CID 120939525

IUPAC1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C3(CN)CCOCC3)CC2)nc1
InChIInChI=1S/C19H28N4O3/c1-14-2-3-16(21-12-14)22-17(24)15-4-8-23(9-5-15)18(25)19(13-20)6-10-26-11-7-19/h2-3,12,15H,4-11,13,20H2,1H3,(H,21,22,24)
InChIKeyKJOWEUOCZUBNIF-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.32
Rot. Bonds4

About 1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 120939525) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID120939525
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C3(CN)CCOCC3)CC2)nc1
InChIInChI=1S/C19H28N4O3/c1-14-2-3-16(21-12-14)22-17(24)15-4-8-23(9-5-15)18(25)19(13-20)6-10-26-11-7-19/h2-3,12,15H,4-11,13,20H2,1H3,(H,21,22,24)
InChIKeyKJOWEUOCZUBNIF-UHFFFAOYSA-N
XLogP1.32
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 120939525) is 1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)C3(CN)CCOCC3)CC2)nc1.
What is the InChIKey of 1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is KJOWEUOCZUBNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14-2-3-16(21-12-14)22-17(24)15-4-8-23(9-5-15)18(25)19(13-20)6-10-26-11-7-19/h2-3,12,15H,4-11,13,20H2,1H3,(H,21,22,24).
What are the key properties of 1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 120939525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).