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

C17H27ClN4O2 — CID 131951672

IUPACN-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCC1CCCN(CCn2cc(Cl)cn2)C1)C1CCOCC1
InChIInChI=1S/C17H27ClN4O2/c18-16-11-20-22(13-16)7-6-21-5-1-2-14(12-21)10-19-17(23)15-3-8-24-9-4-15/h11,13-15H,1-10,12H2,(H,19,23)
InChIKeyCTLGTHXCHYEIFO-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.79
Rot. Bonds6

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

N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide (PubChem CID 131951672) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
PubChem CID131951672
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCC1CCCN(CCn2cc(Cl)cn2)C1)C1CCOCC1
InChIInChI=1S/C17H27ClN4O2/c18-16-11-20-22(13-16)7-6-21-5-1-2-14(12-21)10-19-17(23)15-3-8-24-9-4-15/h11,13-15H,1-10,12H2,(H,19,23)
InChIKeyCTLGTHXCHYEIFO-UHFFFAOYSA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 164638875
4-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]benzoic acid
CID 97206519
N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide
CID 169420827
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 131945133
N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 131929382
3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 97153501
3-(4-chloropyrazol-1-yl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 70735720
4-chloro-1-[[1-(oxan-4-ylmethyl)azetidin-3-yl]methyl]pyrazole
CID 154580584
2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole
CID 91837439
cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 133120673
[5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 124758048

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide (CID 131951672) is N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide is O=C(NCC1CCCN(CCn2cc(Cl)cn2)C1)C1CCOCC1.
What is the InChIKey of N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide?
The InChIKey is CTLGTHXCHYEIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c18-16-11-20-22(13-16)7-6-21-5-1-2-14(12-21)10-19-17(23)15-3-8-24-9-4-15/h11,13-15H,1-10,12H2,(H,19,23).
What are the key properties of N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide?
N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide has a molecular weight of 354.88 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 131951672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).