N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide

C17H23N3O2S — CID 51088852

IUPACN-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide
SMILESC=CCSCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H23N3O2S/c1-2-12-23-13-16(21)18-15-8-10-20(11-9-15)17(22)19-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,18,21)(H,19,22)
InChIKeyPGGIXDVWTKCUFS-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.72
Rot. Bonds6

About N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide

N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide (PubChem CID 51088852) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide
PubChem CID51088852
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide
SMILESC=CCSCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H23N3O2S/c1-2-12-23-13-16(21)18-15-8-10-20(11-9-15)17(22)19-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,18,21)(H,19,22)
InChIKeyPGGIXDVWTKCUFS-UHFFFAOYSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
N-[4-[(2-prop-2-enylsulfanylacetyl)amino]phenyl]azepane-1-carboxamide
CID 51100780
N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide
CID 46588527
4-[(2-naphthalen-2-ylacetyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324367
N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide
CID 71982071
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700417
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324417
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide (CID 51088852) is N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide is C=CCSCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide?
The InChIKey is PGGIXDVWTKCUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-12-23-13-16(21)18-15-8-10-20(11-9-15)17(22)19-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,18,21)(H,19,22).
What are the key properties of N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide?
N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 51088852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).