(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide

C18H27N3O3 — CID 7435243

IUPAC(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)c1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)20-16(22)13-7-6-10-21(12-13)17(23)19-14-8-5-9-15(11-14)24-4/h5,8-9,11,13H,6-7,10,12H2,1-4H3,(H,19,23)(H,20,22)/t13-/m0/s1
InChIKeyGSPBXXNPOCCRNG-ZDUSSCGKSA-N
MW333.43 g/mol
LogP2.85
Rot. Bonds3

About (3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide

(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 7435243) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID7435243
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)c1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)20-16(22)13-7-6-10-21(12-13)17(23)19-14-8-5-9-15(11-14)24-4/h5,8-9,11,13H,6-7,10,12H2,1-4H3,(H,19,23)(H,20,22)/t13-/m0/s1
InChIKeyGSPBXXNPOCCRNG-ZDUSSCGKSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
CID 47065724
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide
CID 49117902
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 56523677
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 7435243) is (3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide is COc1cccc(NC(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)c1.
What is the InChIKey of (3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is GSPBXXNPOCCRNG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)20-16(22)13-7-6-10-21(12-13)17(23)19-14-8-5-9-15(11-14)24-4/h5,8-9,11,13H,6-7,10,12H2,1-4H3,(H,19,23)(H,20,22)/t13-/m0/s1.
What are the key properties of (3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 7435243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).