(3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide

C17H23N5O2S — CID 97282691

IUPAC(3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
SMILESNC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)NCCc2cccs2)C1
InChIInChI=1S/C17H23N5O2S/c18-15(23)12-21-9-7-19-16(21)13-3-1-8-22(11-13)17(24)20-6-5-14-4-2-10-25-14/h2,4,7,9-10,13H,1,3,5-6,8,11-12H2,(H2,18,23)(H,20,24)/t13-/m1/s1
InChIKeyTVNNMBCTPOJXNF-CYBMUJFWSA-N
MW361.47 g/mol
LogP1.56
Rot. Bonds6

About (3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide

(3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide (PubChem CID 97282691) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
PubChem CID97282691
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name(3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
SMILESNC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)NCCc2cccs2)C1
InChIInChI=1S/C17H23N5O2S/c18-15(23)12-21-9-7-19-16(21)13-3-1-8-22(11-13)17(24)20-6-5-14-4-2-10-25-14/h2,4,7,9-10,13H,1,3,5-6,8,11-12H2,(H2,18,23)(H,20,24)/t13-/m1/s1
InChIKeyTVNNMBCTPOJXNF-CYBMUJFWSA-N
XLogP1.56
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 97269942
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CID 97282540
2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
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(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 97202915
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2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
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2-[2-[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97275991
2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide (CID 97282691) is (3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide is NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)NCCc2cccs2)C1.
What is the InChIKey of (3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The InChIKey is TVNNMBCTPOJXNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2S/c18-15(23)12-21-9-7-19-16(21)13-3-1-8-22(11-13)17(24)20-6-5-14-4-2-10-25-14/h2,4,7,9-10,13H,1,3,5-6,8,11-12H2,(H2,18,23)(H,20,24)/t13-/m1/s1.
What are the key properties of (3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
(3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97282691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).