N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide

C20H25N5O — CID 99990589

IUPACN-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(N[C@@H]1CCCN(c2cnccn2)C1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N5O/c26-20(16-5-7-18(8-6-16)24-11-1-2-12-24)23-17-4-3-13-25(15-17)19-14-21-9-10-22-19/h5-10,14,17H,1-4,11-13,15H2,(H,23,26)/t17-/m1/s1
InChIKeyOCMVQZDMFIXVIK-QGZVFWFLSA-N
MW351.45 g/mol
LogP2.48
Rot. Bonds4

About N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide

N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 99990589) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
PubChem CID99990589
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(N[C@@H]1CCCN(c2cnccn2)C1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N5O/c26-20(16-5-7-18(8-6-16)24-11-1-2-12-24)23-17-4-3-13-25(15-17)19-14-21-9-10-22-19/h5-10,14,17H,1-4,11-13,15H2,(H,23,26)/t17-/m1/s1
InChIKeyOCMVQZDMFIXVIK-QGZVFWFLSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126448073
4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide
CID 119062377
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126433211
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
2,6-dimethoxy-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyridine-3-carboxamide
CID 99976530
2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 99930841
2-(1-methylimidazol-2-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449446

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide (CID 99990589) is N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide is O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is OCMVQZDMFIXVIK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O/c26-20(16-5-7-18(8-6-16)24-11-1-2-12-24)23-17-4-3-13-25(15-17)19-14-21-9-10-22-19/h5-10,14,17H,1-4,11-13,15H2,(H,23,26)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide?
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 99990589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).