N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide

C15H22N4OS — CID 82906568

IUPACN-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)C1CSCCN1
InChIInChI=1S/C15H22N4OS/c20-15(13-11-21-10-7-16-13)18-12-4-8-19(9-5-12)14-3-1-2-6-17-14/h1-3,6,12-13,16H,4-5,7-11H2,(H,18,20)
InChIKeyYXSRRRUNSSEDKT-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.87
Rot. Bonds3

About N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide

N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide (PubChem CID 82906568) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
PubChem CID82906568
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC NameN-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)C1CSCCN1
InChIInChI=1S/C15H22N4OS/c20-15(13-11-21-10-7-16-13)18-12-4-8-19(9-5-12)14-3-1-2-6-17-14/h1-3,6,12-13,16H,4-5,7-11H2,(H,18,20)
InChIKeyYXSRRRUNSSEDKT-UHFFFAOYSA-N
XLogP0.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119854534
N-(1-pyridin-2-ylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119854490
N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43700130
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
2-amino-N-(1-pyridin-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64823326
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
5-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)pyrazolidine-3-carboxamide
CID 133108668
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112731973
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide (CID 82906568) is N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide is O=C(NC1CCN(c2ccccn2)CC1)C1CSCCN1.
What is the InChIKey of N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide?
The InChIKey is YXSRRRUNSSEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c20-15(13-11-21-10-7-16-13)18-12-4-8-19(9-5-12)14-3-1-2-6-17-14/h1-3,6,12-13,16H,4-5,7-11H2,(H,18,20).
What are the key properties of N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide?
N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).