1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide

C13H23N5O — CID 97020056

IUPAC1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn(C)cn1)N1CCN(C)CC1
InChIInChI=1S/C13H23N5O/c1-11(18-6-4-16(2)5-7-18)8-14-13(19)12-9-17(3)10-15-12/h9-11H,4-8H2,1-3H3,(H,14,19)/t11-/m0/s1
InChIKeyMAZWZPKLWZPGJN-NSHDSACASA-N
MW265.36 g/mol
LogP-0.21
Rot. Bonds4

About 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide

1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide (PubChem CID 97020056) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide
PubChem CID97020056
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn(C)cn1)N1CCN(C)CC1
InChIInChI=1S/C13H23N5O/c1-11(18-6-4-16(2)5-7-18)8-14-13(19)12-9-17(3)10-15-12/h9-11H,4-8H2,1-3H3,(H,14,19)/t11-/m0/s1
InChIKeyMAZWZPKLWZPGJN-NSHDSACASA-N
XLogP-0.21
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
CID 103803885
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
CID 103860044
N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide
CID 107972296
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
CID 107973596
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
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CID 107975233
5-methyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazine-2-carboxamide
CID 37248087
1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 95314902
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269
1-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide
CID 20703287
N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
CID 103860562
6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide
CID 95317979

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide (CID 97020056) is 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide is C[C@@H](CNC(=O)c1cn(C)cn1)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide?
The InChIKey is MAZWZPKLWZPGJN-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N5O/c1-11(18-6-4-16(2)5-7-18)8-14-13(19)12-9-17(3)10-15-12/h9-11H,4-8H2,1-3H3,(H,14,19)/t11-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide?
1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide is sourced from PubChem (CID 97020056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).