N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide

C18H29N5O2 — CID 95736974

IUPACN-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H](n2nc(C)nc2C)C1)C1CCCC1
InChIInChI=1S/C18H29N5O2/c1-12-19-13(2)23(21-12)16-9-6-10-22(11-16)18(25)17(20-14(3)24)15-7-4-5-8-15/h15-17H,4-11H2,1-3H3,(H,20,24)/t16-,17-/m0/s1
InChIKeyDEWKDPGMKZOIOI-IRXDYDNUSA-N
MW347.46 g/mol
LogP1.75
Rot. Bonds4

About N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide

N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 95736974) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID95736974
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H](n2nc(C)nc2C)C1)C1CCCC1
InChIInChI=1S/C18H29N5O2/c1-12-19-13(2)23(21-12)16-9-6-10-22(11-16)18(25)17(20-14(3)24)15-7-4-5-8-15/h15-17H,4-11H2,1-3H3,(H,20,24)/t16-,17-/m0/s1
InChIKeyDEWKDPGMKZOIOI-IRXDYDNUSA-N
XLogP1.75
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

(2R)-2-cyclopentyloxy-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95768828
N-[(1R)-1-cyclopentyl-2-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95327472
N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95313828
(2R)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 95736839
N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide
CID 154742605
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95737246
(2R)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773874
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95978600
(2S)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 129461447
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736942
[3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea
CID 95750487
(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide
CID 95231715

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide (CID 95736974) is N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)N[C@H](C(=O)N1CCC[C@H](n2nc(C)nc2C)C1)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is DEWKDPGMKZOIOI-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12-19-13(2)23(21-12)16-9-6-10-22(11-16)18(25)17(20-14(3)24)15-7-4-5-8-15/h15-17H,4-11H2,1-3H3,(H,20,24)/t16-,17-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 95736974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).