2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide

C19H27N5O — CID 69137777

IUPAC2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(N)Cc2cn(Cc3ccccc3)cn2)CC1
InChIInChI=1S/C19H27N5O/c1-23-9-7-16(8-10-23)22-19(25)18(20)11-17-13-24(14-21-17)12-15-5-3-2-4-6-15/h2-6,13-14,16,18H,7-12,20H2,1H3,(H,22,25)
InChIKeyOZLFDIDAJWYDDK-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.01
Rot. Bonds6

About 2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide

2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 69137777) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID69137777
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(N)Cc2cn(Cc3ccccc3)cn2)CC1
InChIInChI=1S/C19H27N5O/c1-23-9-7-16(8-10-23)22-19(25)18(20)11-17-13-24(14-21-17)12-15-5-3-2-4-6-15/h2-6,13-14,16,18H,7-12,20H2,1H3,(H,22,25)
InChIKeyOZLFDIDAJWYDDK-UHFFFAOYSA-N
XLogP1.01
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2,3-dimethylcyclohexyl)propanamide;dihydrochloride
CID 120607904
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 119836676
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]ethylamino]ethyl]-3-(1-benzylimidazol-4-yl)propanamide
CID 11827812
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-cyclohexylethyl)propanamide;dihydrochloride
CID 119725748
2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]-2-methylpropanoic acid
CID 178096968
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]propanamide;dihydrochloride
CID 119728584
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119806055
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-prop-2-enylpropanamide
CID 119672782
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3-cyclohexyloxypropyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide (CID 69137777) is 2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)C(N)Cc2cn(Cc3ccccc3)cn2)CC1.
What is the InChIKey of 2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is OZLFDIDAJWYDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23-9-7-16(8-10-23)22-19(25)18(20)11-17-13-24(14-21-17)12-15-5-3-2-4-6-15/h2-6,13-14,16,18H,7-12,20H2,1H3,(H,22,25).
What are the key properties of 2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide?
2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 69137777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).