N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide

C16H24ClN3O2 — CID 163353325

IUPACN-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C16H24ClN3O2/c1-16(2,3)19-15(21)20-9-5-6-12(10-20)11-22-14-13(17)7-4-8-18-14/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,19,21)
InChIKeyCOTVNKWWHUATDU-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.33
Rot. Bonds3

About N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide

N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide (PubChem CID 163353325) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
PubChem CID163353325
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C16H24ClN3O2/c1-16(2,3)19-15(21)20-9-5-6-12(10-20)11-22-14-13(17)7-4-8-18-14/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,19,21)
InChIKeyCOTVNKWWHUATDU-UHFFFAOYSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide
CID 138988299
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 163353514
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 163354080
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
CID 163354645
5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352850
4-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 163354714
3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
CID 163352657
tert-butyl (3S)-3-[(3-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 95731970

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide (CID 163353325) is N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCCC(COc2ncccc2Cl)C1.
What is the InChIKey of N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide?
The InChIKey is COTVNKWWHUATDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-16(2,3)19-15(21)20-9-5-6-12(10-20)11-22-14-13(17)7-4-8-18-14/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide?
N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide has a molecular weight of 325.84 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 163353325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).