[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C22H30N4O — CID 109215179

IUPAC[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCCN(CCC)c1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H30N4O/c1-3-12-24(13-4-2)20-10-11-23-21(18-20)22(27)26-16-14-25(15-17-26)19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3
InChIKeyNLZWJKCGLOZNSA-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.67
Rot. Bonds7

About [4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109215179) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109215179
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCCN(CCC)c1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H30N4O/c1-3-12-24(13-4-2)20-10-11-23-21(18-20)22(27)26-16-14-25(15-17-26)19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3
InChIKeyNLZWJKCGLOZNSA-UHFFFAOYSA-N
XLogP3.67
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109352116
[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218091
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 71801413
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
[4-[benzyl(ethyl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206409
4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218448
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205094

Frequently Asked Questions

What is the IUPAC name of [4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109215179) is [4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is CCCN(CCC)c1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of [4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is NLZWJKCGLOZNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-12-24(13-4-2)20-10-11-23-21(18-20)22(27)26-16-14-25(15-17-26)19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3.
What are the key properties of [4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 366.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109215179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).