1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide

C16H27N5O4S — CID 53383316

IUPAC1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)NC(=O)C1(C)CN(S(C)(=O)=O)CC(=O)N1CCCn1ccnc1
InChIInChI=1S/C16H27N5O4S/c1-13(2)18-15(23)16(3)11-20(26(4,24)25)10-14(22)21(16)8-5-7-19-9-6-17-12-19/h6,9,12-13H,5,7-8,10-11H2,1-4H3,(H,18,23)
InChIKeyUXLGFZAZKAJWLG-UHFFFAOYSA-N
MW385.49 g/mol
LogP-0.34
Rot. Bonds7

About 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide

1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide (PubChem CID 53383316) has the molecular formula C16H27N5O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
PubChem CID53383316
Molecular FormulaC16H27N5O4S
Molecular Weight385.49 g/mol
Exact Mass385.18
IUPAC Name1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)NC(=O)C1(C)CN(S(C)(=O)=O)CC(=O)N1CCCn1ccnc1
InChIInChI=1S/C16H27N5O4S/c1-13(2)18-15(23)16(3)11-20(26(4,24)25)10-14(22)21(16)8-5-7-19-9-6-17-12-19/h6,9,12-13H,5,7-8,10-11H2,1-4H3,(H,18,23)
InChIKeyUXLGFZAZKAJWLG-UHFFFAOYSA-N
XLogP-0.34
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide with MolForge

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Related Compounds

N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide
CID 56778639
2-(Tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
CID 56824877
N-[3-oxo-3-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propyl]methanesulfonamide
CID 72143157
N-(2-acetamidoethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 72144067
2-(methanesulfonamido)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150044
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72150070
2-(2-isopropyl-1H-imidazol-1-yl)-N-[1-(methylsulfonyl)-4-piperidinyl]propanamide
CID 72891813
1-[2-(2-isopropyl-1H-imidazol-1-yl)propanoyl]-4-(methylsulfonyl)piperazine
CID 72907974
4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383076
N~2~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-YL]-1-methyl-1H-imidazole-2-carboxamide
CID 91923124
N~1~-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}-N~2~-(methylsulfonyl)alaninamide
CID 91774565
N~3~-(methylsulfonyl)-N~1~-[(1-propyl-1H-imidazol-2-yl)methyl]-beta-alaninamide
CID 91835434

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide (CID 53383316) is 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide is CC(C)NC(=O)C1(C)CN(S(C)(=O)=O)CC(=O)N1CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is UXLGFZAZKAJWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4S/c1-13(2)18-15(23)16(3)11-20(26(4,24)25)10-14(22)21(16)8-5-7-19-9-6-17-12-19/h6,9,12-13H,5,7-8,10-11H2,1-4H3,(H,18,23).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of -0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 53383316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).