4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride

C20H26ClN3O3 — CID 120630106

IUPAC4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(=O)Nc2cccc3ccccc23)CCNCC1.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-26-14-20(9-11-21-12-10-20)19(25)22-13-18(24)23-17-8-4-6-15-5-2-3-7-16(15)17;/h2-8,21H,9-14H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyPGQKSPCBQVXVQH-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.33
Rot. Bonds6

About 4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120630106) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120630106
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(=O)Nc2cccc3ccccc23)CCNCC1.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-26-14-20(9-11-21-12-10-20)19(25)22-13-18(24)23-17-8-4-6-15-5-2-3-7-16(15)17;/h2-8,21H,9-14H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyPGQKSPCBQVXVQH-UHFFFAOYSA-N
XLogP2.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930278
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120625334
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120630144
N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624537
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
N-(2,3-difluorophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620409
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120623806
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride (CID 120630106) is 4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCC(=O)Nc2cccc3ccccc23)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is PGQKSPCBQVXVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.ClH/c1-26-14-20(9-11-21-12-10-20)19(25)22-13-18(24)23-17-8-4-6-15-5-2-3-7-16(15)17;/h2-8,21H,9-14H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of 4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120630106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).