2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide

C15H26N6O2 — CID 95134639

IUPAC2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC(=O)N[C@H](C)Cn2ccnc2)CC1
InChIInChI=1S/C15H26N6O2/c1-12(9-21-8-5-17-11-21)18-15(23)19-13-3-6-20(7-4-13)10-14(22)16-2/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,16,22)(H2,18,19,23)/t12-/m1/s1
InChIKeyHIFANYDEWJRYAF-GFCCVEGCSA-N
MW322.41 g/mol
LogP-0.22
Rot. Bonds6

About 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 95134639) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID95134639
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC(=O)N[C@H](C)Cn2ccnc2)CC1
InChIInChI=1S/C15H26N6O2/c1-12(9-21-8-5-17-11-21)18-15(23)19-13-3-6-20(7-4-13)10-14(22)16-2/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,16,22)(H2,18,19,23)/t12-/m1/s1
InChIKeyHIFANYDEWJRYAF-GFCCVEGCSA-N
XLogP-0.22
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide with MolForge

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Related Compounds

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 94049873
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94122854
N-cyclohexyl-4-[[(2R)-1-imidazol-1-ylpropan-2-yl]amino]piperidine-1-carboxamide
CID 95388436
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 94796883
N-cyclopentyl-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493767
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156418
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156417

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide (CID 95134639) is 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NC(=O)N[C@H](C)Cn2ccnc2)CC1.
What is the InChIKey of 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is HIFANYDEWJRYAF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-12(9-21-8-5-17-11-21)18-15(23)19-13-3-6-20(7-4-13)10-14(22)16-2/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,16,22)(H2,18,19,23)/t12-/m1/s1.
What are the key properties of 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 322.41 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 95134639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).