N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide

C18H29N3O2 — CID 110838996

IUPACN-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
SMILESCOc1ccc(CNC(=O)CCN(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-20-11-8-16(9-12-20)21(2)13-10-18(22)19-14-15-4-6-17(23-3)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,19,22)
InChIKeyBZAPMSPOAGLCGP-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.73
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide

N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide (PubChem CID 110838996) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
PubChem CID110838996
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
SMILESCOc1ccc(CNC(=O)CCN(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-20-11-8-16(9-12-20)21(2)13-10-18(22)19-14-15-4-6-17(23-3)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,19,22)
InChIKeyBZAPMSPOAGLCGP-UHFFFAOYSA-N
XLogP1.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838955
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 91839671
3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 113116142
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide (CID 110838996) is N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide is COc1ccc(CNC(=O)CCN(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The InChIKey is BZAPMSPOAGLCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20-11-8-16(9-12-20)21(2)13-10-18(22)19-14-15-4-6-17(23-3)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,19,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide is sourced from PubChem (CID 110838996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).