2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide

C19H25N5O2 — CID 97276544

IUPAC2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C19H25N5O2/c20-17(25)13-24-10-8-21-19(24)16-7-4-9-23(12-16)14-18(26)22-11-15-5-2-1-3-6-15/h1-3,5-6,8,10,16H,4,7,9,11-14H2,(H2,20,25)(H,22,26)/t16-/m0/s1
InChIKeyNSGFOKLRKKYEJO-INIZCTEOSA-N
MW355.44 g/mol
LogP0.86
Rot. Bonds7

About 2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97276544) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97276544
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C19H25N5O2/c20-17(25)13-24-10-8-21-19(24)16-7-4-9-23(12-16)14-18(26)22-11-15-5-2-1-3-6-15/h1-3,5-6,8,10,16H,4,7,9,11-14H2,(H2,20,25)(H,22,26)/t16-/m0/s1
InChIKeyNSGFOKLRKKYEJO-INIZCTEOSA-N
XLogP0.86
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97271410
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide
CID 9388960
2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270306
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867328
2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283919
2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72914128
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
(3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 97282691
2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97285996
2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269284

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 97276544) is 2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1[C@H]1CCCN(CC(=O)NCc2ccccc2)C1.
What is the InChIKey of 2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is NSGFOKLRKKYEJO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-17(25)13-24-10-8-21-19(24)16-7-4-9-23(12-16)14-18(26)22-11-15-5-2-1-3-6-15/h1-3,5-6,8,10,16H,4,7,9,11-14H2,(H2,20,25)(H,22,26)/t16-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97276544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).