(1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

C18H30N4O — CID 119621751

IUPAC(1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(NCC3CC3)CC2)cnn1C(C)(C)C
InChIInChI=1S/C18H30N4O/c1-13-16(12-20-22(13)18(2,3)4)17(23)21-9-7-15(8-10-21)19-11-14-5-6-14/h12,14-15,19H,5-11H2,1-4H3
InChIKeyGLSPSAIWGXRFDO-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.55
Rot. Bonds4

About (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

(1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 119621751) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID119621751
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name(1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(NCC3CC3)CC2)cnn1C(C)(C)C
InChIInChI=1S/C18H30N4O/c1-13-16(12-20-22(13)18(2,3)4)17(23)21-9-7-15(8-10-21)19-11-14-5-6-14/h12,14-15,19H,5-11H2,1-4H3
InChIKeyGLSPSAIWGXRFDO-UHFFFAOYSA-N
XLogP2.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 115307102
(1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487736
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81483123
(1-tert-butyl-5-ethylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646155
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807435
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 124591955
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 119621751) is (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(NCC3CC3)CC2)cnn1C(C)(C)C.
What is the InChIKey of (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is GLSPSAIWGXRFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-13-16(12-20-22(13)18(2,3)4)17(23)21-9-7-15(8-10-21)19-11-14-5-6-14/h12,14-15,19H,5-11H2,1-4H3.
What are the key properties of (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
(1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 318.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119621751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).