1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide

C15H20N6O2 — CID 129475784

IUPAC1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn([C@H]2CCCN(c3nccc(OC)n3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-16-14(22)12-6-9-21(19-12)11-4-3-8-20(10-11)15-17-7-5-13(18-15)23-2/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,22)/t11-/m0/s1
InChIKeyQJFGSRYBISPFSZ-NSHDSACASA-N
MW316.37 g/mol
LogP0.88
Rot. Bonds4

About 1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide

1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 129475784) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
PubChem CID129475784
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn([C@H]2CCCN(c3nccc(OC)n3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-16-14(22)12-6-9-21(19-12)11-4-3-8-20(10-11)15-17-7-5-13(18-15)23-2/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,22)/t11-/m0/s1
InChIKeyQJFGSRYBISPFSZ-NSHDSACASA-N
XLogP0.88
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326453
1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129473969
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128977516
1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
CID 95557149
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 129338809
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
tert-butyl N-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 97007663
N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 127975200
1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 100626552
4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 126817206

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide (CID 129475784) is 1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn([C@H]2CCCN(c3nccc(OC)n3)C2)n1.
What is the InChIKey of 1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is QJFGSRYBISPFSZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O2/c1-16-14(22)12-6-9-21(19-12)11-4-3-8-20(10-11)15-17-7-5-13(18-15)23-2/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,22)/t11-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 129475784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).