4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride

C18H28ClN3O4 — CID 119283056

IUPAC4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride
SMILESCOc1cc(NC(=O)CCCN)c(C(=O)N2CCCCC2)cc1OC.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-24-15-11-13(18(23)21-9-4-3-5-10-21)14(12-16(15)25-2)20-17(22)7-6-8-19;/h11-12H,3-10,19H2,1-2H3,(H,20,22);1H
InChIKeyYTFXGIUDEZMHHC-UHFFFAOYSA-N
MW385.89 g/mol
LogP2.43
Rot. Bonds7

About 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride

4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride (PubChem CID 119283056) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride
PubChem CID119283056
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC Name4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride
SMILESCOc1cc(NC(=O)CCCN)c(C(=O)N2CCCCC2)cc1OC.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-24-15-11-13(18(23)21-9-4-3-5-10-21)14(12-16(15)25-2)20-17(22)7-6-8-19;/h11-12H,3-10,19H2,1-2H3,(H,20,22);1H
InChIKeyYTFXGIUDEZMHHC-UHFFFAOYSA-N
XLogP2.43
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminobutanoylamino)-4,5-dimethoxybenzoic acid
CID 61157131
4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119307355
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120588220
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119711915
2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119711968
4-(1,3-benzothiazol-2-yl)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 55639678
(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283072
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55640010
2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 48658025
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119684692

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride (CID 119283056) is 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride is COc1cc(NC(=O)CCCN)c(C(=O)N2CCCCC2)cc1OC.Cl.
What is the InChIKey of 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The InChIKey is YTFXGIUDEZMHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-24-15-11-13(18(23)21-9-4-3-5-10-21)14(12-16(15)25-2)20-17(22)7-6-8-19;/h11-12H,3-10,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride?
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119283056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).