(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride

C16H27ClN4O — CID 163333524

IUPAC(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCCn1ccc(C(=O)N2CCC(C3CCNCC3)CC2)n1.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-2-20-12-7-15(18-20)16(21)19-10-5-14(6-11-19)13-3-8-17-9-4-13;/h7,12-14,17H,2-6,8-11H2,1H3;1H
InChIKeyJGJQTEDLXDQPBX-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.18
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride

(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 163333524) has the molecular formula C16H27ClN4O and a molecular weight of 326.87 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
PubChem CID163333524
Molecular FormulaC16H27ClN4O
Molecular Weight326.87 g/mol
Exact Mass326.19
IUPAC Name(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCCn1ccc(C(=O)N2CCC(C3CCNCC3)CC2)n1.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-2-20-12-7-15(18-20)16(21)19-10-5-14(6-11-19)13-3-8-17-9-4-13;/h7,12-14,17H,2-6,8-11H2,1H3;1H
InChIKeyJGJQTEDLXDQPBX-UHFFFAOYSA-N
XLogP2.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110082899
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210
[1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 154882392
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide
CID 110246315
(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95823174
(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 50846942
(1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72908387

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride (CID 163333524) is (1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride is CCn1ccc(C(=O)N2CCC(C3CCNCC3)CC2)n1.Cl.
What is the InChIKey of (1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is JGJQTEDLXDQPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.ClH/c1-2-20-12-7-15(18-20)16(21)19-10-5-14(6-11-19)13-3-8-17-9-4-13;/h7,12-14,17H,2-6,8-11H2,1H3;1H.
What are the key properties of (1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 163333524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).