N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide

C14H27N3OS — CID 114752760

IUPACN-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide
SMILESCCCCCCC(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C14H27N3OS/c1-3-4-5-6-7-12(18)16-14(13(15)19)8-10-17(2)11-9-14/h3-11H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyYWHQLZPQDBYQOR-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.82
Rot. Bonds7

About N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide

N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide (PubChem CID 114752760) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide
PubChem CID114752760
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide
SMILESCCCCCCC(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C14H27N3OS/c1-3-4-5-6-7-12(18)16-14(13(15)19)8-10-17(2)11-9-14/h3-11H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyYWHQLZPQDBYQOR-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-carbamothioylcyclohexyl)heptanamide
CID 114752752
N-(1-carbamothioylcyclohexyl)octanamide
CID 61120541
N-(1-carbamothioylcyclopentyl)hexanamide
CID 61121113
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 62388542
N-(4-methylpiperazin-1-yl)dodecanamide
CID 3590549
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide
CID 79095992
1-butyl-3-(1-carbamothioylcyclooctyl)urea
CID 61122376
N-(1-carbamothioylcyclohexyl)-4-methylpentanamide
CID 61121329

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide (CID 114752760) is N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide is CCCCCCC(=O)NC1(C(N)=S)CCN(C)CC1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide?
The InChIKey is YWHQLZPQDBYQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-3-4-5-6-7-12(18)16-14(13(15)19)8-10-17(2)11-9-14/h3-11H2,1-2H3,(H2,15,19)(H,16,18).
What are the key properties of N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide?
N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide has a molecular weight of 285.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide is sourced from PubChem (CID 114752760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).