(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide

C16H27N5O2 — CID 95350961

IUPAC(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@H](Cn2cncn2)C1
InChIInChI=1S/C16H27N5O2/c1-13(16(22)18-8-15-5-3-7-23-15)20-6-2-4-14(9-20)10-21-12-17-11-19-21/h11-15H,2-10H2,1H3,(H,18,22)/t13-,14+,15-/m1/s1
InChIKeyYTSXCCXGXYPPHR-QLFBSQMISA-N
MW321.43 g/mol
LogP0.67
Rot. Bonds6

About (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide

(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 95350961) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID95350961
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@H](Cn2cncn2)C1
InChIInChI=1S/C16H27N5O2/c1-13(16(22)18-8-15-5-3-7-23-15)20-6-2-4-14(9-20)10-21-12-17-11-19-21/h11-15H,2-10H2,1H3,(H,18,22)/t13-,14+,15-/m1/s1
InChIKeyYTSXCCXGXYPPHR-QLFBSQMISA-N
XLogP0.67
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95314174
(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 100841194
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95979166
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 56802761
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124621251
3-propyl-5-[(1R)-1-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100841318
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 71928117
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-2-amino-3-methyl-1-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 124604413
methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 98878498
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95280712

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide (CID 95350961) is (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide is C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@H](Cn2cncn2)C1.
What is the InChIKey of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is YTSXCCXGXYPPHR-QLFBSQMISA-N. The full InChI is InChI=1S/C16H27N5O2/c1-13(16(22)18-8-15-5-3-7-23-15)20-6-2-4-14(9-20)10-21-12-17-11-19-21/h11-15H,2-10H2,1H3,(H,18,22)/t13-,14+,15-/m1/s1.
What are the key properties of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 321.43 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95350961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).