N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide

C19H29N3O2 — CID 146329997

IUPACN-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide
SMILESCc1cccc(C2CCN(CCNC(=O)C3CCCOC3)CC2)n1
InChIInChI=1S/C19H29N3O2/c1-15-4-2-6-18(21-15)16-7-10-22(11-8-16)12-9-20-19(23)17-5-3-13-24-14-17/h2,4,6,16-17H,3,5,7-14H2,1H3,(H,20,23)
InChIKeyNKLHZQQLECBIFS-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.11
Rot. Bonds5

About N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide

N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide (PubChem CID 146329997) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide
PubChem CID146329997
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide
SMILESCc1cccc(C2CCN(CCNC(=O)C3CCCOC3)CC2)n1
InChIInChI=1S/C19H29N3O2/c1-15-4-2-6-18(21-15)16-7-10-22(11-8-16)12-9-20-19(23)17-5-3-13-24-14-17/h2,4,6,16-17H,3,5,7-14H2,1H3,(H,20,23)
InChIKeyNKLHZQQLECBIFS-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide
CID 146330154
N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 55109658
N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide
CID 62760131
4-(6-methyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 134498935
3-[2-[[(3S)-oxane-3-carbonyl]amino]ethyl]benzoic acid
CID 129379154
3-[2-(oxane-3-carbonylamino)ethyl]benzoic acid
CID 63794571
(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide
CID 164629625
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 42287597
N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide
CID 111119935
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
6-(1-methylpiperidin-4-yl)-N-(oxan-3-yl)pyridin-2-amine
CID 110271457

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide (CID 146329997) is N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide is Cc1cccc(C2CCN(CCNC(=O)C3CCCOC3)CC2)n1.
What is the InChIKey of N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide?
The InChIKey is NKLHZQQLECBIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-4-2-6-18(21-15)16-7-10-22(11-8-16)12-9-20-19(23)17-5-3-13-24-14-17/h2,4,6,16-17H,3,5,7-14H2,1H3,(H,20,23).
What are the key properties of N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide?
N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide is sourced from PubChem (CID 146329997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).