N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide

C28H34N4O2 — CID 10049822

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide
SMILESCCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1
InChIInChI=1S/C28H34N4O2/c1-3-8-23-12-14-24(15-13-23)28(33)32(27-11-6-7-16-29-27)22-19-30-17-20-31(21-18-30)25-9-4-5-10-26(25)34-2/h4-7,9-16H,3,8,17-22H2,1-2H3
InChIKeyJWGAFPHAKJMGER-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.51
Rot. Bonds9

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide (PubChem CID 10049822) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide
PubChem CID10049822
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide
SMILESCCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1
InChIInChI=1S/C28H34N4O2/c1-3-8-23-12-14-24(15-13-23)28(33)32(27-11-6-7-16-29-27)22-19-30-17-20-31(21-18-30)25-9-4-5-10-26(25)34-2/h4-7,9-16H,3,8,17-22H2,1-2H3
InChIKeyJWGAFPHAKJMGER-UHFFFAOYSA-N
XLogP4.51
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide (CID 10049822) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide is CCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide?
The InChIKey is JWGAFPHAKJMGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-3-8-23-12-14-24(15-13-23)28(33)32(27-11-6-7-16-29-27)22-19-30-17-20-31(21-18-30)25-9-4-5-10-26(25)34-2/h4-7,9-16H,3,8,17-22H2,1-2H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide has a molecular weight of 458.61 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-propyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 10049822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).