(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide

C19H27N3O4S — CID 9473935

IUPAC(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C19H27N3O4S/c1-14-8-10-17(11-9-14)27(25,26)22-12-4-7-16(13-22)19(24)21-20-18(23)15-5-2-3-6-15/h8-11,15-16H,2-7,12-13H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyCZILMTJIHFZNFQ-MRXNPFEDSA-N
MW393.51 g/mol
LogP1.73
Rot. Bonds4

About (3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide

(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide (PubChem CID 9473935) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is (3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
PubChem CID9473935
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C19H27N3O4S/c1-14-8-10-17(11-9-14)27(25,26)22-12-4-7-16(13-22)19(24)21-20-18(23)15-5-2-3-6-15/h8-11,15-16H,2-7,12-13H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyCZILMTJIHFZNFQ-MRXNPFEDSA-N
XLogP1.73
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
1-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-propan-2-ylthiourea
CID 8729712
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 17476145
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
(3S)-N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073136
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
ethyl 4-[2-[(3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]-4-oxobutanoate
CID 9087133
N-[(2R)-3-methyl-1-[2-[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 27679269
(2R)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]butanoic acid
CID 119369114
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 16863432

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide?
The IUPAC name of (3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide (CID 9473935) is (3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for (3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)C3CCCC3)C2)cc1.
What is the InChIKey of (3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide?
The InChIKey is CZILMTJIHFZNFQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-8-10-17(11-9-14)27(25,26)22-12-4-7-16(13-22)19(24)21-20-18(23)15-5-2-3-6-15/h8-11,15-16H,2-7,12-13H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide?
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide has a molecular weight of 393.51 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 9473935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).