(3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide

C18H25N3O6 — CID 7438743

IUPAC(3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
SMILESCOc1cc(C(=O)NCCNC(=O)[C@H]2CCCNC2=O)cc(OC)c1OC
InChIInChI=1S/C18H25N3O6/c1-25-13-9-11(10-14(26-2)15(13)27-3)16(22)20-7-8-21-18(24)12-5-4-6-19-17(12)23/h9-10,12H,4-8H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t12-/m0/s1
InChIKeyLHJVSFYFKJBHRT-LBPRGKRZSA-N
MW379.41 g/mol
LogP0.08
Rot. Bonds8

About (3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide

(3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide (PubChem CID 7438743) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is (3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
PubChem CID7438743
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name(3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
SMILESCOc1cc(C(=O)NCCNC(=O)[C@H]2CCCNC2=O)cc(OC)c1OC
InChIInChI=1S/C18H25N3O6/c1-25-13-9-11(10-14(26-2)15(13)27-3)16(22)20-7-8-21-18(24)12-5-4-6-19-17(12)23/h9-10,12H,4-8H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t12-/m0/s1
InChIKeyLHJVSFYFKJBHRT-LBPRGKRZSA-N
XLogP0.08
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide
CID 3403393
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 807343
3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 94799711
3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 5133336
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108570778
3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
CID 62093386

Frequently Asked Questions

What is the IUPAC name of (3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide (CID 7438743) is (3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide is COc1cc(C(=O)NCCNC(=O)[C@H]2CCCNC2=O)cc(OC)c1OC.
What is the InChIKey of (3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide?
The InChIKey is LHJVSFYFKJBHRT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-25-13-9-11(10-14(26-2)15(13)27-3)16(22)20-7-8-21-18(24)12-5-4-6-19-17(12)23/h9-10,12H,4-8H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t12-/m0/s1.
What are the key properties of (3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide?
(3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 7438743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).