N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide

C14H23N5O3 — CID 138006270

IUPACN-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)N[C@@H]1COC[C@@H]1n1cc(CO)nn1
InChIInChI=1S/C14H23N5O3/c1-10-4-2-3-5-18(10)14(21)15-12-8-22-9-13(12)19-6-11(7-20)16-17-19/h6,10,12-13,20H,2-5,7-9H2,1H3,(H,15,21)/t10?,12-,13+/m1/s1
InChIKeyMWQOOWAGSRVJPO-SOYIIFOFSA-N
MW309.37 g/mol
LogP0.29
Rot. Bonds3

About N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide

N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide (PubChem CID 138006270) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide
PubChem CID138006270
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC NameN-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)N[C@@H]1COC[C@@H]1n1cc(CO)nn1
InChIInChI=1S/C14H23N5O3/c1-10-4-2-3-5-18(10)14(21)15-12-8-22-9-13(12)19-6-11(7-20)16-17-19/h6,10,12-13,20H,2-5,7-9H2,1H3,(H,15,21)/t10?,12-,13+/m1/s1
InChIKeyMWQOOWAGSRVJPO-SOYIIFOFSA-N
XLogP0.29
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239382
[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methanol;dihydrochloride
CID 138008238
2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816386
[4-(methylamino)oxolan-3-yl]-(2-methylazepan-1-yl)methanone
CID 66266661
[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128972573
N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]morpholine-4-carboxamide
CID 73138829
N-[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetamide
CID 11912008
[1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128990969
N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534
[1-[(1R,2S)-2-(1-benzofuran-3-ylmethylamino)cyclohexyl]triazol-4-yl]methanol
CID 154754185
2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113314016
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 102727427

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide (CID 138006270) is N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide is CC1CCCCN1C(=O)N[C@@H]1COC[C@@H]1n1cc(CO)nn1.
What is the InChIKey of N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide?
The InChIKey is MWQOOWAGSRVJPO-SOYIIFOFSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-10-4-2-3-5-18(10)14(21)15-12-8-22-9-13(12)19-6-11(7-20)16-17-19/h6,10,12-13,20H,2-5,7-9H2,1H3,(H,15,21)/t10?,12-,13+/m1/s1.
What are the key properties of N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide?
N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-3-yl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 138006270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).