(1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone

C15H26N4O — CID 119487736

IUPAC(1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cnn(C(C)(C)C)c2C)C1
InChIInChI=1S/C15H26N4O/c1-11-13(9-17-19(11)15(2,3)4)14(20)18-8-6-7-12(10-18)16-5/h9,12,16H,6-8,10H2,1-5H3
InChIKeyQRRMEGLTYAOIBY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.77
Rot. Bonds2

About (1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone

(1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119487736) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119487736
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cnn(C(C)(C)C)c2C)C1
InChIInChI=1S/C15H26N4O/c1-11-13(9-17-19(11)15(2,3)4)14(20)18-8-6-7-12(10-18)16-5/h9,12,16H,6-8,10H2,1-5H3
InChIKeyQRRMEGLTYAOIBY-UHFFFAOYSA-N
XLogP1.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 124591955
(1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119621751
[3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 119492597
(3-aminopyrazin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487560
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575295
1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 124590432
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
CID 119493676
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119489255
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 120803983
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
CID 125146165
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119487736) is (1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cnn(C(C)(C)C)c2C)C1.
What is the InChIKey of (1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is QRRMEGLTYAOIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-13(9-17-19(11)15(2,3)4)14(20)18-8-6-7-12(10-18)16-5/h9,12,16H,6-8,10H2,1-5H3.
What are the key properties of (1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone?
(1-tert-butyl-5-methylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 278.40 g/mol, XLogP of 1.77, 2 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)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119487736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).