N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

C17H28ClN3O2 — CID 120837238

IUPACN-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(CN2CCCC(C(=O)NCCN)C2)ccc1C.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-13-5-6-14(10-16(13)22-2)11-20-9-3-4-15(12-20)17(21)19-8-7-18;/h5-6,10,15H,3-4,7-9,11-12,18H2,1-2H3,(H,19,21);1H
InChIKeyPMRXRCOSEYSERQ-UHFFFAOYSA-N
MW341.88 g/mol
LogP1.71
Rot. Bonds6

About N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 120837238) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID120837238
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC NameN-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(CN2CCCC(C(=O)NCCN)C2)ccc1C.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-13-5-6-14(10-16(13)22-2)11-20-9-3-4-15(12-20)17(21)19-8-7-18;/h5-6,10,15H,3-4,7-9,11-12,18H2,1-2H3,(H,19,21);1H
InChIKeyPMRXRCOSEYSERQ-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
methyl 3-[[3-(2-aminoethylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 120837370
N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81431674
N-(2-aminoethyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidine-3-carboxamide
CID 120837331
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
methyl 2-[4-[[3-(2-aminoethylcarbamoyl)piperidin-1-yl]methyl]-2-nitrophenoxy]acetate
CID 120837252
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 56785604

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 120837238) is N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is COc1cc(CN2CCCC(C(=O)NCCN)C2)ccc1C.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is PMRXRCOSEYSERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-13-5-6-14(10-16(13)22-2)11-20-9-3-4-15(12-20)17(21)19-8-7-18;/h5-6,10,15H,3-4,7-9,11-12,18H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120837238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).