4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide

C19H29N3O5 — CID 120588220

IUPAC4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
SMILESCOc1cc(NC(=O)CC(CN)OC)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C19H29N3O5/c1-25-13(12-20)9-18(23)21-15-11-17(27-3)16(26-2)10-14(15)19(24)22-7-5-4-6-8-22/h10-11,13H,4-9,12,20H2,1-3H3,(H,21,23)
InChIKeyIVDXXFNXAWYIAF-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.63
Rot. Bonds8

About 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide

4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide (PubChem CID 120588220) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
PubChem CID120588220
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
SMILESCOc1cc(NC(=O)CC(CN)OC)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C19H29N3O5/c1-25-13(12-20)9-18(23)21-15-11-17(27-3)16(26-2)10-14(15)19(24)22-7-5-4-6-8-22/h10-11,13H,4-9,12,20H2,1-3H3,(H,21,23)
InChIKeyIVDXXFNXAWYIAF-UHFFFAOYSA-N
XLogP1.63
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119283056
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617
2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119711968
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119711915
(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283072
4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120594111
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 48658025
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55640010
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide (CID 120588220) is 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide is COc1cc(NC(=O)CC(CN)OC)c(C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide?
The InChIKey is IVDXXFNXAWYIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-25-13(12-20)9-18(23)21-15-11-17(27-3)16(26-2)10-14(15)19(24)22-7-5-4-6-8-22/h10-11,13H,4-9,12,20H2,1-3H3,(H,21,23).
What are the key properties of 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide?
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide has a molecular weight of 379.46 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120588220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).