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

C19H27N5O — CID 95337910

IUPACN-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@H](NC(=O)CCN1CCC[C@H](Cn2cncn2)C1)c1ccccc1
InChIInChI=1S/C19H27N5O/c1-16(18-7-3-2-4-8-18)22-19(25)9-11-23-10-5-6-17(12-23)13-24-15-20-14-21-24/h2-4,7-8,14-17H,5-6,9-13H2,1H3,(H,22,25)/t16-,17-/m0/s1
InChIKeyZPCUGELQZHRUGP-IRXDYDNUSA-N
MW341.46 g/mol
LogP2.26
Rot. Bonds7

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

N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 95337910) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID95337910
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@H](NC(=O)CCN1CCC[C@H](Cn2cncn2)C1)c1ccccc1
InChIInChI=1S/C19H27N5O/c1-16(18-7-3-2-4-8-18)22-19(25)9-11-23-10-5-6-17(12-23)13-24-15-20-14-21-24/h2-4,7-8,14-17H,5-6,9-13H2,1H3,(H,22,25)/t16-,17-/m0/s1
InChIKeyZPCUGELQZHRUGP-IRXDYDNUSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95309263
(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95333284
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 124729607
N-(3-phenylpropyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95341612
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329
(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95342886
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010
3-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 95712844
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
3-[2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 167758406

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide (CID 95337910) is N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide is C[C@H](NC(=O)CCN1CCC[C@H](Cn2cncn2)C1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is ZPCUGELQZHRUGP-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H27N5O/c1-16(18-7-3-2-4-8-18)22-19(25)9-11-23-10-5-6-17(12-23)13-24-15-20-14-21-24/h2-4,7-8,14-17H,5-6,9-13H2,1H3,(H,22,25)/t16-,17-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 341.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95337910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).