(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide

C15H24N4O2S — CID 96525579

IUPAC(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1nccs1)N1CCC[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C15H24N4O2S/c20-15(17-10-14-16-3-9-22-14)19-4-1-2-13(12-19)11-18-5-7-21-8-6-18/h3,9,13H,1-2,4-8,10-12H2,(H,17,20)/t13-/m0/s1
InChIKeyVZBSNPSSAMEAMX-ZDUSSCGKSA-N
MW324.45 g/mol
LogP1.40
Rot. Bonds4

About (3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide

(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 96525579) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
PubChem CID96525579
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1nccs1)N1CCC[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C15H24N4O2S/c20-15(17-10-14-16-3-9-22-14)19-4-1-2-13(12-19)11-18-5-7-21-8-6-18/h3,9,13H,1-2,4-8,10-12H2,(H,17,20)/t13-/m0/s1
InChIKeyVZBSNPSSAMEAMX-ZDUSSCGKSA-N
XLogP1.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 167984816
(3S)-3-(methylsulfonylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 126431963
1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 54962570
3-[1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047677
4-(2-methylpropanoyl)-N-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 146075678
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86898946
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 124616862
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide (CID 96525579) is (3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1nccs1)N1CCC[C@@H](CN2CCOCC2)C1.
What is the InChIKey of (3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is VZBSNPSSAMEAMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2S/c20-15(17-10-14-16-3-9-22-14)19-4-1-2-13(12-19)11-18-5-7-21-8-6-18/h3,9,13H,1-2,4-8,10-12H2,(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide?
(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 96525579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).