(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride

C10H17ClN4O — CID 119379296

IUPAC(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
SMILESCl.Cn1nccc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C10H16N4O.ClH/c1-13-9(4-5-12-13)10(15)14-6-2-3-8(11)7-14;/h4-5,8H,2-3,6-7,11H2,1H3;1H
InChIKeyNQNFCPAQBWHIPI-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.41
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride (PubChem CID 119379296) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
PubChem CID119379296
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
SMILESCl.Cn1nccc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C10H16N4O.ClH/c1-13-9(4-5-12-13)10(15)14-6-2-3-8(11)7-14;/h4-5,8H,2-3,6-7,11H2,1H3;1H
InChIKeyNQNFCPAQBWHIPI-UHFFFAOYSA-N
XLogP0.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 79993620
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
(4-bromo-3-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 114683538
(2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196493
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
(2-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124987374
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 25374189
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 42415250

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride (CID 119379296) is (3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride is Cl.Cn1nccc1C(=O)N1CCCC(N)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride?
The InChIKey is NQNFCPAQBWHIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c1-13-9(4-5-12-13)10(15)14-6-2-3-8(11)7-14;/h4-5,8H,2-3,6-7,11H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119379296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).