4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride

C20H25ClN4O3 — CID 119700736

IUPAC4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)CCNCC1.Cl
InChIInChI=1S/C20H24N4O3.ClH/c1-27-20(11-13-21-14-12-20)18(25)22-16-7-9-17(10-8-16)24-19(26)23-15-5-3-2-4-6-15;/h2-10,21H,11-14H2,1H3,(H,22,25)(H2,23,24,26);1H
InChIKeyQDMZCNQRLFNUKZ-UHFFFAOYSA-N
MW404.90 g/mol
LogP3.46
Rot. Bonds5

About 4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119700736) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119700736
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)CCNCC1.Cl
InChIInChI=1S/C20H24N4O3.ClH/c1-27-20(11-13-21-14-12-20)18(25)22-16-7-9-17(10-8-16)24-19(26)23-15-5-3-2-4-6-15;/h2-10,21H,11-14H2,1H3,(H,22,25)(H2,23,24,26);1H
InChIKeyQDMZCNQRLFNUKZ-UHFFFAOYSA-N
XLogP3.46
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119756449
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-(6-anilino-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119870640
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119714272
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119752834
N-(3-anilino-3-oxopropyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785811
4-(2-methoxyethoxy)-N-phenylpiperidine-4-carboxamide
CID 123741902
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-(6-benzamido-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119893893

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119700736) is 4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is QDMZCNQRLFNUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3.ClH/c1-27-20(11-13-21-14-12-20)18(25)22-16-7-9-17(10-8-16)24-19(26)23-15-5-3-2-4-6-15;/h2-10,21H,11-14H2,1H3,(H,22,25)(H2,23,24,26);1H.
What are the key properties of 4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 3.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119700736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).