(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide

C17H24N4O5 — CID 9090523

IUPAC(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
SMILESCCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1OC
InChIInChI=1S/C17H24N4O5/c1-3-26-13-7-6-11(9-14(13)25-2)15(22)19-20-16(23)12-5-4-8-21(10-12)17(18)24/h6-7,9,12H,3-5,8,10H2,1-2H3,(H2,18,24)(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyPSHCDEKEWHUZRN-LBPRGKRZSA-N
MW364.40 g/mol
LogP0.65
Rot. Bonds5

About (3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide

(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide (PubChem CID 9090523) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is (3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
PubChem CID9090523
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
SMILESCCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1OC
InChIInChI=1S/C17H24N4O5/c1-3-26-13-7-6-11(9-14(13)25-2)15(22)19-20-16(23)12-5-4-8-21(10-12)17(18)24/h6-7,9,12H,3-5,8,10H2,1-2H3,(H2,18,24)(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyPSHCDEKEWHUZRN-LBPRGKRZSA-N
XLogP0.65
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9084642
N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407957
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
CID 55624623
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
(3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9086796
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
CID 4280976
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459376
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 24513966
N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46656734

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide (CID 9090523) is (3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide is CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1OC.
What is the InChIKey of (3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
The InChIKey is PSHCDEKEWHUZRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-3-26-13-7-6-11(9-14(13)25-2)15(22)19-20-16(23)12-5-4-8-21(10-12)17(18)24/h6-7,9,12H,3-5,8,10H2,1-2H3,(H2,18,24)(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of (3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide?
(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide is sourced from PubChem (CID 9090523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).