N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide

C23H31N3O4S — CID 89238356

IUPACN-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)C2(CCC2)C1
InChIInChI=1S/C23H31N3O4S/c1-2-21(27)24-19-10-15-26(23(17-19)11-7-12-23)31(29,30)20-9-6-8-18(16-20)22(28)25-13-4-3-5-14-25/h2,6,8-9,16,19H,1,3-5,7,10-15,17H2,(H,24,27)
InChIKeyHEBXHQNMCCAPDU-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.69
Rot. Bonds5

About N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide

N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide (PubChem CID 89238356) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
PubChem CID89238356
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)C2(CCC2)C1
InChIInChI=1S/C23H31N3O4S/c1-2-21(27)24-19-10-15-26(23(17-19)11-7-12-23)31(29,30)20-9-6-8-18(16-20)22(28)25-13-4-3-5-14-25/h2,6,8-9,16,19H,1,3-5,7,10-15,17H2,(H,24,27)
InChIKeyHEBXHQNMCCAPDU-UHFFFAOYSA-N
XLogP2.69
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
CID 89236161
N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238873
N-[2-chloro-4-[[8-(prop-2-enoylamino)-5-azaspiro[3.5]nonan-5-yl]sulfonyl]phenyl]-3-phenylpropanamide
CID 89238533
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237208
4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 109063117
N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide
CID 89237397
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119647439
azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone
CID 99940561
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 119647438

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide?
The IUPAC name of N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide (CID 89238356) is N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide.
What is the SMILES notation for N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide?
The canonical SMILES for N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide is C=CC(=O)NC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)C2(CCC2)C1.
What is the InChIKey of N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide?
The InChIKey is HEBXHQNMCCAPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-2-21(27)24-19-10-15-26(23(17-19)11-7-12-23)31(29,30)20-9-6-8-18(16-20)22(28)25-13-4-3-5-14-25/h2,6,8-9,16,19H,1,3-5,7,10-15,17H2,(H,24,27).
What are the key properties of N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide?
N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide has a molecular weight of 445.59 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide is sourced from PubChem (CID 89238356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).