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

C19H27N5O — CID 95342886

IUPAC(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NCCc1ccccc1)N1CCC[C@H](Cn2cncn2)C1
InChIInChI=1S/C19H27N5O/c1-16(19(25)21-10-9-17-6-3-2-4-7-17)23-11-5-8-18(12-23)13-24-15-20-14-22-24/h2-4,6-7,14-16,18H,5,8-13H2,1H3,(H,21,25)/t16-,18+/m1/s1
InChIKeyATMORZMTFGEGMM-AEFFLSMTSA-N
MW341.46 g/mol
LogP1.74
Rot. Bonds7

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

(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 95342886) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID95342886
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NCCc1ccccc1)N1CCC[C@H](Cn2cncn2)C1
InChIInChI=1S/C19H27N5O/c1-16(19(25)21-10-9-17-6-3-2-4-7-17)23-11-5-8-18(12-23)13-24-15-20-14-22-24/h2-4,6-7,14-16,18H,5,8-13H2,1H3,(H,21,25)/t16-,18+/m1/s1
InChIKeyATMORZMTFGEGMM-AEFFLSMTSA-N
XLogP1.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide with MolForge

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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
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95320910
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95350961
N-(3-phenylpropyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95341612
N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146131423
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314664
(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 100841194
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95337910
2-[(1R)-1-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136727623
N-(2-thiophen-2-ylethyl)-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95341631
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide (CID 95342886) is (2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide is C[C@H](C(=O)NCCc1ccccc1)N1CCC[C@H](Cn2cncn2)C1.
What is the InChIKey of (2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is ATMORZMTFGEGMM-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H27N5O/c1-16(19(25)21-10-9-17-6-3-2-4-7-17)23-11-5-8-18(12-23)13-24-15-20-14-22-24/h2-4,6-7,14-16,18H,5,8-13H2,1H3,(H,21,25)/t16-,18+/m1/s1.
What are the key properties of (2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 341.46 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95342886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).