(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide

C20H30N4O6 — CID 9084642

IUPAC(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
SMILESCCOc1cc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc(OCC)c1OCC
InChIInChI=1S/C20H30N4O6/c1-4-28-15-10-14(11-16(29-5-2)17(15)30-6-3)19(26)23-22-18(25)13-8-7-9-24(12-13)20(21)27/h10-11,13H,4-9,12H2,1-3H3,(H2,21,27)(H,22,25)(H,23,26)/t13-/m0/s1
InChIKeyKUZQSHZWCODDHH-ZDUSSCGKSA-N
MW422.48 g/mol
LogP1.43
Rot. Bonds8

About (3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide

(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide (PubChem CID 9084642) has the molecular formula C20H30N4O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is (3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
PubChem CID9084642
Molecular FormulaC20H30N4O6
Molecular Weight422.48 g/mol
Exact Mass422.22
IUPAC Name(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
SMILESCCOc1cc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc(OCC)c1OCC
InChIInChI=1S/C20H30N4O6/c1-4-28-15-10-14(11-16(29-5-2)17(15)30-6-3)19(26)23-22-18(25)13-8-7-9-24(12-13)20(21)27/h10-11,13H,4-9,12H2,1-3H3,(H2,21,27)(H,22,25)(H,23,26)/t13-/m0/s1
InChIKeyKUZQSHZWCODDHH-ZDUSSCGKSA-N
XLogP1.43
TPSA132.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 24513966
(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9090523
(3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9086796
ethyl (3R)-1-[(3,4,5-triethoxybenzoyl)carbamothioyl]piperidine-3-carboxylate
CID 41100694
(3S)-3-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamoyl]piperidine-1-carboxamide
CID 9085756
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3,4,5-triethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082756
cyclohexyl-[4-(3,4,5-triethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544633
N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407957
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
CID 56510742
1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793952
(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 8870376

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide (CID 9084642) is (3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide is CCOc1cc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc(OCC)c1OCC.
What is the InChIKey of (3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The InChIKey is KUZQSHZWCODDHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H30N4O6/c1-4-28-15-10-14(11-16(29-5-2)17(15)30-6-3)19(26)23-22-18(25)13-8-7-9-24(12-13)20(21)27/h10-11,13H,4-9,12H2,1-3H3,(H2,21,27)(H,22,25)(H,23,26)/t13-/m0/s1.
What are the key properties of (3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide is sourced from PubChem (CID 9084642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).