N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide

C17H27N5O2 — CID 128980324

IUPACN-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(O)(c2cn[nH]n2)C1)N(C1CCCC1)C1CC1
InChIInChI=1S/C17H27N5O2/c23-16(22(14-6-7-14)13-4-1-2-5-13)11-21-9-3-8-17(24,12-21)15-10-18-20-19-15/h10,13-14,24H,1-9,11-12H2,(H,18,19,20)
InChIKeyLTVSHMVQLJLWQY-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.02
Rot. Bonds5

About N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide

N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide (PubChem CID 128980324) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide
PubChem CID128980324
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(O)(c2cn[nH]n2)C1)N(C1CCCC1)C1CC1
InChIInChI=1S/C17H27N5O2/c23-16(22(14-6-7-14)13-4-1-2-5-13)11-21-9-3-8-17(24,12-21)15-10-18-20-19-15/h10,13-14,24H,1-9,11-12H2,(H,18,19,20)
InChIKeyLTVSHMVQLJLWQY-UHFFFAOYSA-N
XLogP1.02
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 167954203
1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol
CID 128975128
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
CID 129484094
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 128981838
1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 167954603
[4-(cyclopropylmethoxy)phenyl]-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 167902588
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]ethanone
CID 128981058
3,3-dicyclopropyl-1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 154756977
(4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 128980454
[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 128981886
(3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 128981867
N,N-dicyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 94191195

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide (CID 128980324) is N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide is O=C(CN1CCCC(O)(c2cn[nH]n2)C1)N(C1CCCC1)C1CC1.
What is the InChIKey of N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide?
The InChIKey is LTVSHMVQLJLWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c23-16(22(14-6-7-14)13-4-1-2-5-13)11-21-9-3-8-17(24,12-21)15-10-18-20-19-15/h10,13-14,24H,1-9,11-12H2,(H,18,19,20).
What are the key properties of N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide?
N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 128980324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).