(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide

C19H22N4O2 — CID 124944737

IUPAC(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C(N)=O)C2)cn1
InChIInChI=1S/C19H22N4O2/c1-14-7-8-16(11-21-14)19(25)23-10-9-22(17(13-23)18(20)24)12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-13H2,1H3,(H2,20,24)/t17-/m0/s1
InChIKeyBLZKJWWAEXYZMV-KRWDZBQOSA-N
MW338.41 g/mol
LogP1.20
Rot. Bonds4

About (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide

(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide (PubChem CID 124944737) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
PubChem CID124944737
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C(N)=O)C2)cn1
InChIInChI=1S/C19H22N4O2/c1-14-7-8-16(11-21-14)19(25)23-10-9-22(17(13-23)18(20)24)12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-13H2,1H3,(H2,20,24)/t17-/m0/s1
InChIKeyBLZKJWWAEXYZMV-KRWDZBQOSA-N
XLogP1.20
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide 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

(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 125001348
(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
CID 95811288
(2R)-4-(6-methylpyridine-3-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125008665
[3-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 110197765
1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 110086456
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide
CID 125008674
[(3R)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 95539436
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide
CID 110086608
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide (CID 124944737) is (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide is Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C(N)=O)C2)cn1.
What is the InChIKey of (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is BLZKJWWAEXYZMV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-7-8-16(11-21-14)19(25)23-10-9-22(17(13-23)18(20)24)12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-13H2,1H3,(H2,20,24)/t17-/m0/s1.
What are the key properties of (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide?
(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 124944737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).