(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone

C23H32N4O — CID 109288460

IUPAC(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone
SMILESCCCN(CCC)c1cnc(C(=O)N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C23H32N4O/c1-3-12-26(13-4-2)22-18-24-21(17-25-22)23(28)27-14-10-20(11-15-27)16-19-8-6-5-7-9-19/h5-9,17-18,20H,3-4,10-16H2,1-2H3
InChIKeyVHEHHJBRXAGSGC-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.20
Rot. Bonds8

About (4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone

(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone (PubChem CID 109288460) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone
PubChem CID109288460
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone
SMILESCCCN(CCC)c1cnc(C(=O)N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C23H32N4O/c1-3-12-26(13-4-2)22-18-24-21(17-25-22)23(28)27-14-10-20(11-15-27)16-19-8-6-5-7-9-19/h5-9,17-18,20H,3-4,10-16H2,1-2H3
InChIKeyVHEHHJBRXAGSGC-UHFFFAOYSA-N
XLogP4.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288466
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109189255
[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274289
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
CID 109312199
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109288459
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180504
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026457

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone (CID 109288460) is (4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone is CCCN(CCC)c1cnc(C(=O)N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone?
The InChIKey is VHEHHJBRXAGSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-3-12-26(13-4-2)22-18-24-21(17-25-22)23(28)27-14-10-20(11-15-27)16-19-8-6-5-7-9-19/h5-9,17-18,20H,3-4,10-16H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone?
(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone has a molecular weight of 380.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109288460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).