N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

C19H24N4O — CID 124569727

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C19H24N4O/c24-19(21-18-7-6-16-4-1-2-5-17(16)18)22-12-8-15(9-13-22)14-23-11-3-10-20-23/h1-5,10-11,15,18H,6-9,12-14H2,(H,21,24)/t18-/m1/s1
InChIKeyJUJVPACRAPKGAG-GOSISDBHSA-N
MW324.43 g/mol
LogP2.99
Rot. Bonds3

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 124569727) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID124569727
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C19H24N4O/c24-19(21-18-7-6-16-4-1-2-5-17(16)18)22-12-8-15(9-13-22)14-23-11-3-10-20-23/h1-5,10-11,15,18H,6-9,12-14H2,(H,21,24)/t18-/m1/s1
InChIKeyJUJVPACRAPKGAG-GOSISDBHSA-N
XLogP2.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
N-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypiperidine-1-carboxamide
CID 110882685
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95323921
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272
N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 146143132
N-(6-azaspiro[2.5]octan-2-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 138034866
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide
CID 95351345
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 124569727) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is O=C(N[C@@H]1CCc2ccccc21)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is JUJVPACRAPKGAG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(21-18-7-6-16-4-1-2-5-17(16)18)22-12-8-15(9-13-22)14-23-11-3-10-20-23/h1-5,10-11,15,18H,6-9,12-14H2,(H,21,24)/t18-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 124569727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).