N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide

C14H25N5O — CID 110258633

IUPACN-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(C)C)CCN1Cc1nccn1C
InChIInChI=1S/C14H25N5O/c1-11(2)18-7-8-19(12(9-18)14(20)15-3)10-13-16-5-6-17(13)4/h5-6,11-12H,7-10H2,1-4H3,(H,15,20)
InChIKeyJJCDULBTGPFNBC-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.06
Rot. Bonds4

About N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide

N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 110258633) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID110258633
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(C)C)CCN1Cc1nccn1C
InChIInChI=1S/C14H25N5O/c1-11(2)18-7-8-19(12(9-18)14(20)15-3)10-13-16-5-6-17(13)4/h5-6,11-12H,7-10H2,1-4H3,(H,15,20)
InChIKeyJJCDULBTGPFNBC-UHFFFAOYSA-N
XLogP0.06
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 95509884
(2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 98769766
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
N-methyl-4-propan-2-yl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide
CID 110086083
(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 100838841
(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine
CID 98757746
(2S)-1-(azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 95273427
2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95294975
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 97216449
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45191571
2-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926699

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide (CID 110258633) is N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide is CNC(=O)C1CN(C(C)C)CCN1Cc1nccn1C.
What is the InChIKey of N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is JJCDULBTGPFNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11(2)18-7-8-19(12(9-18)14(20)15-3)10-13-16-5-6-17(13)4/h5-6,11-12H,7-10H2,1-4H3,(H,15,20).
What are the key properties of N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 110258633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).