[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone

C22H26N4O3 — CID 24730509

IUPAC[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2ccccc2)CCN1C(=O)c1cccnc1)N1CCOCC1
InChIInChI=1S/C22H26N4O3/c27-21(19-7-4-8-23-15-19)26-10-9-24(16-18-5-2-1-3-6-18)17-20(26)22(28)25-11-13-29-14-12-25/h1-8,15,20H,9-14,16-17H2
InChIKeyAVWCDDYGKLYUKN-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.27
Rot. Bonds4

About [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone

[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 24730509) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
PubChem CID24730509
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2ccccc2)CCN1C(=O)c1cccnc1)N1CCOCC1
InChIInChI=1S/C22H26N4O3/c27-21(19-7-4-8-23-15-19)26-10-9-24(16-18-5-2-1-3-6-18)17-20(26)22(28)25-11-13-29-14-12-25/h1-8,15,20H,9-14,16-17H2
InChIKeyAVWCDDYGKLYUKN-UHFFFAOYSA-N
XLogP1.27
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-N-ethyl-2-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 24730515
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide
CID 110151192
(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 125001348
morpholin-4-yl-[1-(3-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]methanone
CID 134801928
[(4aR,7aS)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridin-3-ylmethanone
CID 98793062
[(4aS,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridin-3-ylmethanone
CID 97082335
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
(2S)-4-benzyl-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]piperazine-2-carboxamide
CID 129458336
[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 24733123
[1-(3,4-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 112820287

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone (CID 24730509) is [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone is O=C(C1CN(Cc2ccccc2)CCN1C(=O)c1cccnc1)N1CCOCC1.
What is the InChIKey of [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is AVWCDDYGKLYUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(19-7-4-8-23-15-19)26-10-9-24(16-18-5-2-1-3-6-18)17-20(26)22(28)25-11-13-29-14-12-25/h1-8,15,20H,9-14,16-17H2.
What are the key properties of [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 394.48 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24730509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).