1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone

C10H16N4O — CID 112530943

IUPAC1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
SMILESNC1CCCN(C(=O)Cc2ccn[nH]2)C1
InChIInChI=1S/C10H16N4O/c11-8-2-1-5-14(7-8)10(15)6-9-3-4-12-13-9/h3-4,8H,1-2,5-7,11H2,(H,12,13)
InChIKeyTWKSWLRSXJJGBJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.10
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone

1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone (PubChem CID 112530943) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
PubChem CID112530943
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
SMILESNC1CCCN(C(=O)Cc2ccn[nH]2)C1
InChIInChI=1S/C10H16N4O/c11-8-2-1-5-14(7-8)10(15)6-9-3-4-12-13-9/h3-4,8H,1-2,5-7,11H2,(H,12,13)
InChIKeyTWKSWLRSXJJGBJ-UHFFFAOYSA-N
XLogP-0.10
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 138379141
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 79139214
1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115277206
1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 84579292
2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124979428
2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 167753439
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone (CID 112530943) is 1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone is NC1CCCN(C(=O)Cc2ccn[nH]2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The InChIKey is TWKSWLRSXJJGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-8-2-1-5-14(7-8)10(15)6-9-3-4-12-13-9/h3-4,8H,1-2,5-7,11H2,(H,12,13).
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 112530943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).