1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide

C22H34N4O6S — CID 24685916

IUPAC1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C22H34N4O6S/c1-3-9-24(10-4-2)22(27)18-7-11-23(12-8-18)20-6-5-19(17-21(20)26(28)29)33(30,31)25-13-15-32-16-14-25/h5-6,17-18H,3-4,7-16H2,1-2H3
InChIKeyNEOWDHQIAQHTJF-UHFFFAOYSA-N
MW482.60 g/mol
LogP2.48
Rot. Bonds9

About 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide

1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide (PubChem CID 24685916) has the molecular formula C22H34N4O6S and a molecular weight of 482.60 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide
PubChem CID24685916
Molecular FormulaC22H34N4O6S
Molecular Weight482.60 g/mol
Exact Mass482.22
IUPAC Name1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C22H34N4O6S/c1-3-9-24(10-4-2)22(27)18-7-11-23(12-8-18)20-6-5-19(17-21(20)26(28)29)33(30,31)25-13-15-32-16-14-25/h5-6,17-18H,3-4,7-16H2,1-2H3
InChIKeyNEOWDHQIAQHTJF-UHFFFAOYSA-N
XLogP2.48
TPSA113.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-Nitro-4-(piperidine-1-sulfonyl)phenyl]piperidine-4-carboxylic acid
CID 4868358
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-[4-(2-Nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]ethanone
CID 4544760
1-[4-(Morpholine-4-sulfonyl)-2-nitrophenyl]piperidine-4-carboxylic acid
CID 3862082
1-[2-Nitro-4-(piperidylsulfonyl)phenyl]pyrrolidin-2-one
CID 2829410
3-nitro-4-(2-oxopyrrolidin-1-yl)-N,N-dipropylbenzenesulfonamide
CID 3119447
Morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone
CID 3230698
4-[(3-Nitro-4-piperazin-1-ylphenyl)sulfonyl]morpholine
CID 3779124
N-(3-morpholin-4-ylpropyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 4578832
Ethyl 4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazine-1-carboxylate
CID 4824368
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate
CID 15945359
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]butanamide
CID 16294389

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide (CID 24685916) is 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide is CCCN(CCC)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide?
The InChIKey is NEOWDHQIAQHTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O6S/c1-3-9-24(10-4-2)22(27)18-7-11-23(12-8-18)20-6-5-19(17-21(20)26(28)29)33(30,31)25-13-15-32-16-14-25/h5-6,17-18H,3-4,7-16H2,1-2H3.
What are the key properties of 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide?
1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide has a molecular weight of 482.60 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide is sourced from PubChem (CID 24685916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).