(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone

C14H24N4O — CID 119381314

IUPAC(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1nc(C)c(C(=O)N2CCCC(N)C2)c1C
InChIInChI=1S/C14H24N4O/c1-4-7-18-11(3)13(10(2)16-18)14(19)17-8-5-6-12(15)9-17/h12H,4-9,15H2,1-3H3
InChIKeyFEUPMNRVRLPBPW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.47
Rot. Bonds3

About (3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone

(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone (PubChem CID 119381314) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
PubChem CID119381314
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1nc(C)c(C(=O)N2CCCC(N)C2)c1C
InChIInChI=1S/C14H24N4O/c1-4-7-18-11(3)13(10(2)16-18)14(19)17-8-5-6-12(15)9-17/h12H,4-9,15H2,1-3H3
InChIKeyFEUPMNRVRLPBPW-UHFFFAOYSA-N
XLogP1.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124992904
(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 127246392
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 120814052
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 120814051
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119520508
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 125022683
[3-(2-aminoethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone;hydrochloride
CID 120727697
2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124684475
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 97099034
ethyl (3S)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338391
ethyl (3R)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338794

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone (CID 119381314) is (3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone is CCCn1nc(C)c(C(=O)N2CCCC(N)C2)c1C.
What is the InChIKey of (3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is FEUPMNRVRLPBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-7-18-11(3)13(10(2)16-18)14(19)17-8-5-6-12(15)9-17/h12H,4-9,15H2,1-3H3.
What are the key properties of (3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 119381314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).