N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide

C17H30N2O2 — CID 164638875

IUPACN-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide
SMILESC/C=C(\C)CN1CCC[C@H](CNC(=O)C2CCOCC2)C1
InChIInChI=1S/C17H30N2O2/c1-3-14(2)12-19-8-4-5-15(13-19)11-18-17(20)16-6-9-21-10-7-16/h3,15-16H,4-13H2,1-2H3,(H,18,20)/b14-3+/t15-/m1/s1
InChIKeyYRXNAOFZWNLCBS-PHTHZBSUSA-N
MW294.44 g/mol
LogP2.21
Rot. Bonds5

About N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide

N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide (PubChem CID 164638875) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide
PubChem CID164638875
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide
SMILESC/C=C(\C)CN1CCC[C@H](CNC(=O)C2CCOCC2)C1
InChIInChI=1S/C17H30N2O2/c1-3-14(2)12-19-8-4-5-15(13-19)11-18-17(20)16-6-9-21-10-7-16/h3,15-16H,4-13H2,1-2H3,(H,18,20)/b14-3+/t15-/m1/s1
InChIKeyYRXNAOFZWNLCBS-PHTHZBSUSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 131924742
N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 131951672
N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide
CID 164637885
1-(2-methylbut-2-enyl)piperidine-3-carboxamide
CID 2845933
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241627
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 99827639
N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 131929382
6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 131945133
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
N-[[(3S)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]methyl]-2-pyridin-4-ylacetamide
CID 95211378
N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide
CID 86854641

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide (CID 164638875) is N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide is C/C=C(\C)CN1CCC[C@H](CNC(=O)C2CCOCC2)C1.
What is the InChIKey of N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide?
The InChIKey is YRXNAOFZWNLCBS-PHTHZBSUSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-14(2)12-19-8-4-5-15(13-19)11-18-17(20)16-6-9-21-10-7-16/h3,15-16H,4-13H2,1-2H3,(H,18,20)/b14-3+/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide?
N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 164638875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).