N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide

C12H21N5O — CID 55171775

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NCc1nccn1C)N1CCNCC1
InChIInChI=1S/C12H21N5O/c1-10(17-7-3-13-4-8-17)12(18)15-9-11-14-5-6-16(11)2/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,15,18)
InChIKeyYTRWFATXGOZIJF-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.67
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide

N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide (PubChem CID 55171775) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
PubChem CID55171775
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NCc1nccn1C)N1CCNCC1
InChIInChI=1S/C12H21N5O/c1-10(17-7-3-13-4-8-17)12(18)15-9-11-14-5-6-16(11)2/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,15,18)
InChIKeyYTRWFATXGOZIJF-UHFFFAOYSA-N
XLogP-0.67
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide
CID 43130667
4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 63293989
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 114180578
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 63244626
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95280712
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide (CID 55171775) is N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide is CC(C(=O)NCc1nccn1C)N1CCNCC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide?
The InChIKey is YTRWFATXGOZIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10(17-7-3-13-4-8-17)12(18)15-9-11-14-5-6-16(11)2/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide?
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide has a molecular weight of 251.33 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 55171775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).