4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride

C22H28ClN3O3 — CID 119546723

IUPAC4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-23-15-16-11-13-25(14-12-16)22(27)19-5-3-4-6-20(19)24-21(26)17-7-9-18(28-2)10-8-17;/h3-10,16,23H,11-15H2,1-2H3,(H,24,26);1H
InChIKeyTUAAOLQWBKSCKG-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.44
Rot. Bonds6

About 4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride

4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride (PubChem CID 119546723) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
PubChem CID119546723
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-23-15-16-11-13-25(14-12-16)22(27)19-5-3-4-6-20(19)24-21(26)17-7-9-18(28-2)10-8-17;/h3-10,16,23H,11-15H2,1-2H3,(H,24,26);1H
InChIKeyTUAAOLQWBKSCKG-UHFFFAOYSA-N
XLogP3.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 55859581
N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 2193293
N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 56504081
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552
4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119394700

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride (CID 119546723) is 4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride is CNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1.Cl.
What is the InChIKey of 4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The InChIKey is TUAAOLQWBKSCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-23-15-16-11-13-25(14-12-16)22(27)19-5-3-4-6-20(19)24-21(26)17-7-9-18(28-2)10-8-17;/h3-10,16,23H,11-15H2,1-2H3,(H,24,26);1H.
What are the key properties of 4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119546723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).