2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide

C16H24ClN3O2 — CID 163357321

IUPAC2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(COc2ccncc2Cl)CC1
InChIInChI=1S/C16H24ClN3O2/c1-12(2)19-16(21)10-20-7-4-13(5-8-20)11-22-15-3-6-18-9-14(15)17/h3,6,9,12-13H,4-5,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyUZRMCDPFYJPYIE-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.35
Rot. Bonds6

About 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide

2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 163357321) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID163357321
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(COc2ccncc2Cl)CC1
InChIInChI=1S/C16H24ClN3O2/c1-12(2)19-16(21)10-20-7-4-13(5-8-20)11-22-15-3-6-18-9-14(15)17/h3,6,9,12-13H,4-5,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyUZRMCDPFYJPYIE-UHFFFAOYSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 163357267
3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 154831232
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-cyclopropylpyrimidine
CID 154829517
3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 155799862
[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154831225
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-ethylpyrimidine
CID 154829545
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 154829519
1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 154831413
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine
CID 154829675
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 154829498

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide (CID 163357321) is 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(COc2ccncc2Cl)CC1.
What is the InChIKey of 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is UZRMCDPFYJPYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-12(2)19-16(21)10-20-7-4-13(5-8-20)11-22-15-3-6-18-9-14(15)17/h3,6,9,12-13H,4-5,7-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 325.84 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 163357321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).