4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride

C19H30ClN3O4 — CID 120594111

IUPAC4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride
SMILESCCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CC(CN)OC.Cl
InChIInChI=1S/C19H29N3O4.ClH/c1-3-26-17-8-7-14(19(24)22-9-5-4-6-10-22)11-16(17)21-18(23)12-15(13-20)25-2;/h7-8,11,15H,3-6,9-10,12-13,20H2,1-2H3,(H,21,23);1H
InChIKeyZZJVULIXKPOGQP-UHFFFAOYSA-N
MW399.92 g/mol
LogP2.44
Rot. Bonds8

About 4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120594111) has the molecular formula C19H30ClN3O4 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride
PubChem CID120594111
Molecular FormulaC19H30ClN3O4
Molecular Weight399.92 g/mol
Exact Mass399.19
IUPAC Name4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride
SMILESCCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CC(CN)OC.Cl
InChIInChI=1S/C19H29N3O4.ClH/c1-3-26-17-8-7-14(19(24)22-9-5-4-6-10-22)11-16(17)21-18(23)12-15(13-20)25-2;/h7-8,11,15H,3-6,9-10,12-13,20H2,1-2H3,(H,21,23);1H
InChIKeyZZJVULIXKPOGQP-UHFFFAOYSA-N
XLogP2.44
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120588220
4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide
CID 120592838
4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 120588215
4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119307355
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940371
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110809030
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119755653
4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
CID 120590833

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride (CID 120594111) is 4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride is CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is ZZJVULIXKPOGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4.ClH/c1-3-26-17-8-7-14(19(24)22-9-5-4-6-10-22)11-16(17)21-18(23)12-15(13-20)25-2;/h7-8,11,15H,3-6,9-10,12-13,20H2,1-2H3,(H,21,23);1H.
What are the key properties of 4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120594111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).