2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide

C26H31N3O4 — CID 25218491

IUPAC2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C26H31N3O4/c27-24(30)22-10-3-4-11-23(22)33-17-12-19-6-5-9-21(18-19)26(32)29-15-13-28(14-16-29)25(31)20-7-1-2-8-20/h3-6,9-11,18,20H,1-2,7-8,12-17H2,(H2,27,30)
InChIKeyYDBRLTBTNWPQGH-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.88
Rot. Bonds7

About 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide

2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide (PubChem CID 25218491) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide
PubChem CID25218491
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C26H31N3O4/c27-24(30)22-10-3-4-11-23(22)33-17-12-19-6-5-9-21(18-19)26(32)29-15-13-28(14-16-29)25(31)20-7-1-2-8-20/h3-6,9-11,18,20H,1-2,7-8,12-17H2,(H2,27,30)
InChIKeyYDBRLTBTNWPQGH-UHFFFAOYSA-N
XLogP2.88
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
{3-[4-(2-Isopropoxy-phenyl)-piperidin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone
CID 10409903
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
2-(1-Benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
CID 23465639
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide?
The IUPAC name of 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide (CID 25218491) is 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide.
What is the SMILES notation for 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide?
The canonical SMILES for 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide is NC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide?
The InChIKey is YDBRLTBTNWPQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c27-24(30)22-10-3-4-11-23(22)33-17-12-19-6-5-9-21(18-19)26(32)29-15-13-28(14-16-29)25(31)20-7-1-2-8-20/h3-6,9-11,18,20H,1-2,7-8,12-17H2,(H2,27,30).
What are the key properties of 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide?
2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide has a molecular weight of 449.55 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide is sourced from PubChem (CID 25218491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).