N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid

C18H26N2O6 — CID 171154568

IUPACN-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
SMILESCOc1ccc(NC(=O)CCN2CCC(C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H24N2O2.C2H2O4/c1-13-7-10-18(11-8-13)12-9-16(19)17-14-3-5-15(20-2)6-4-14;3-1(4)2(5)6/h3-6,13H,7-12H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)
InChIKeyDDVPRYYUTBQRRH-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.91
Rot. Bonds5

About N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid

N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid (PubChem CID 171154568) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
PubChem CID171154568
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC NameN-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
SMILESCOc1ccc(NC(=O)CCN2CCC(C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H24N2O2.C2H2O4/c1-13-7-10-18(11-8-13)12-9-16(19)17-14-3-5-15(20-2)6-4-14;3-1(4)2(5)6/h3-6,13H,7-12H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)
InChIKeyDDVPRYYUTBQRRH-UHFFFAOYSA-N
XLogP1.91
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014538
(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910408
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 29046567
3-(4-methylpiperidin-1-yl)-N-[6-[3-(4-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide
CID 24963056
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
CID 109028531
3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109032975
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid (CID 171154568) is N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid is COc1ccc(NC(=O)CCN2CCC(C)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid?
The InChIKey is DDVPRYYUTBQRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C2H2O4/c1-13-7-10-18(11-8-13)12-9-16(19)17-14-3-5-15(20-2)6-4-14;3-1(4)2(5)6/h3-6,13H,7-12H2,1-2H3,(H,17,19);(H,3,4)(H,5,6).
What are the key properties of N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid?
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid has a molecular weight of 366.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid is sourced from PubChem (CID 171154568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).