5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide

C23H32N4O2 — CID 109196532

IUPAC5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C23H32N4O2/c1-4-12-27(13-5-2)23(28)22-11-8-20(18-24-22)26-16-14-25(15-17-26)19-6-9-21(29-3)10-7-19/h6-11,18H,4-5,12-17H2,1-3H3
InChIKeyBAKJALSRIMBYKX-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.68
Rot. Bonds8

About 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide

5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109196532) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide
PubChem CID109196532
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C23H32N4O2/c1-4-12-27(13-5-2)23(28)22-11-8-20(18-24-22)26-16-14-25(15-17-26)19-6-9-21(29-3)10-7-19/h6-11,18H,4-5,12-17H2,1-3H3
InChIKeyBAKJALSRIMBYKX-UHFFFAOYSA-N
XLogP3.68
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide
CID 109187393
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109033107
N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182041
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109288007
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109123102
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
CID 113031151
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide
CID 109194309
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide (CID 109196532) is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is BAKJALSRIMBYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-4-12-27(13-5-2)23(28)22-11-8-20(18-24-22)26-16-14-25(15-17-26)19-6-9-21(29-3)10-7-19/h6-11,18H,4-5,12-17H2,1-3H3.
What are the key properties of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide?
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109196532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).