N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide

C24H40N4O2 — CID 25276266

IUPACN-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide
SMILESCOc1ccc(N2CCC(N3CCC(CCC(=O)NCCN(C)C)CC3)CC2)cc1
InChIInChI=1S/C24H40N4O2/c1-26(2)19-14-25-24(29)9-4-20-10-15-27(16-11-20)22-12-17-28(18-13-22)21-5-7-23(30-3)8-6-21/h5-8,20,22H,4,9-19H2,1-3H3,(H,25,29)
InChIKeyOBZIDXAZEYBZGE-UHFFFAOYSA-N
MW416.61 g/mol
LogP2.83
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 25276266) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide
PubChem CID25276266
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide
SMILESCOc1ccc(N2CCC(N3CCC(CCC(=O)NCCN(C)C)CC3)CC2)cc1
InChIInChI=1S/C24H40N4O2/c1-26(2)19-14-25-24(29)9-4-20-10-15-27(16-11-20)22-12-17-28(18-13-22)21-5-7-23(30-3)8-6-21/h5-8,20,22H,4,9-19H2,1-3H3,(H,25,29)
InChIKeyOBZIDXAZEYBZGE-UHFFFAOYSA-N
XLogP2.83
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide
CID 42286373
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712
N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108944211
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110754765
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide
CID 45220562
3-[(3S)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42455315
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide
CID 134516519
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113132121
N-[2-(dimethylamino)ethyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531975
tert-butyl-[2-[[(3R)-1-[1-(4-methoxyphenyl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]carbamic acid
CID 67004989

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide (CID 25276266) is N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide is COc1ccc(N2CCC(N3CCC(CCC(=O)NCCN(C)C)CC3)CC2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is OBZIDXAZEYBZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-26(2)19-14-25-24(29)9-4-20-10-15-27(16-11-20)22-12-17-28(18-13-22)21-5-7-23(30-3)8-6-21/h5-8,20,22H,4,9-19H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 416.61 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 25276266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).