(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride

C16H29ClN4O — CID 120814051

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
SMILESCCCn1nc(C)c(C(=O)N2CCC(N)C(C)(C)C2)c1C.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-6-8-20-12(3)14(11(2)18-20)15(21)19-9-7-13(17)16(4,5)10-19;/h13H,6-10,17H2,1-5H3;1H
InChIKeyQJKJXIBEPGRWHQ-UHFFFAOYSA-N
MW328.89 g/mol
LogP2.53
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride (PubChem CID 120814051) has the molecular formula C16H29ClN4O and a molecular weight of 328.89 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
PubChem CID120814051
Molecular FormulaC16H29ClN4O
Molecular Weight328.89 g/mol
Exact Mass328.20
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
SMILESCCCn1nc(C)c(C(=O)N2CCC(N)C(C)(C)C2)c1C.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-6-8-20-12(3)14(11(2)18-20)15(21)19-9-7-13(17)16(4,5)10-19;/h13H,6-10,17H2,1-5H3;1H
InChIKeyQJKJXIBEPGRWHQ-UHFFFAOYSA-N
XLogP2.53
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 120814052
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119520508
(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 119381314
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 120817858
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 120817861
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 125022683
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97099037
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 114267680
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 97099034
2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124684475

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride (CID 120814051) is (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride is CCCn1nc(C)c(C(=O)N2CCC(N)C(C)(C)C2)c1C.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride?
The InChIKey is QJKJXIBEPGRWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.ClH/c1-6-8-20-12(3)14(11(2)18-20)15(21)19-9-7-13(17)16(4,5)10-19;/h13H,6-10,17H2,1-5H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride has a molecular weight of 328.89 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120814051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).