(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C16H24N6OS — CID 97099007

IUPAC(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCCc1nnc(NC(=O)N2CCC[C@H](Cc3nccn3C)C2)s1
InChIInChI=1S/C16H24N6OS/c1-3-5-14-19-20-15(24-14)18-16(23)22-8-4-6-12(11-22)10-13-17-7-9-21(13)2/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,18,20,23)/t12-/m1/s1
InChIKeyFVQOUCQELUJWSC-GFCCVEGCSA-N
MW348.48 g/mol
LogP2.71
Rot. Bonds5

About (3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 97099007) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is (3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID97099007
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCCc1nnc(NC(=O)N2CCC[C@H](Cc3nccn3C)C2)s1
InChIInChI=1S/C16H24N6OS/c1-3-5-14-19-20-15(24-14)18-16(23)22-8-4-6-12(11-22)10-13-17-7-9-21(13)2/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,18,20,23)/t12-/m1/s1
InChIKeyFVQOUCQELUJWSC-GFCCVEGCSA-N
XLogP2.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(hydroxymethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890794
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075864
(3S)-3-[(1-methylimidazol-2-yl)methyl]-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 124588257
(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 120992898
3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71915673
(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 166314699
1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyrimidin-4-ylpropan-1-one
CID 126776469
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415
(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
CID 99778298
N-cyclopentyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 110203887
(3S)-N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321208

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 97099007) is (3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is CCCc1nnc(NC(=O)N2CCC[C@H](Cc3nccn3C)C2)s1.
What is the InChIKey of (3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is FVQOUCQELUJWSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-3-5-14-19-20-15(24-14)18-16(23)22-8-4-6-12(11-22)10-13-17-7-9-21(13)2/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,18,20,23)/t12-/m1/s1.
What are the key properties of (3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 348.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97099007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).