N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide

C25H39N3O2 — CID 45169935

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESC=CCOc1ccccc1CN1CCCC(CCC(=O)N(C)C2CCN(C)CC2)C1
InChIInChI=1S/C25H39N3O2/c1-4-18-30-24-10-6-5-9-22(24)20-28-15-7-8-21(19-28)11-12-25(29)27(3)23-13-16-26(2)17-14-23/h4-6,9-10,21,23H,1,7-8,11-20H2,2-3H3
InChIKeyHERWYPDHMSMIGU-UHFFFAOYSA-N
MW413.61 g/mol
LogP3.80
Rot. Bonds9

About N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 45169935) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide
PubChem CID45169935
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESC=CCOc1ccccc1CN1CCCC(CCC(=O)N(C)C2CCN(C)CC2)C1
InChIInChI=1S/C25H39N3O2/c1-4-18-30-24-10-6-5-9-22(24)20-28-15-7-8-21(19-28)11-12-25(29)27(3)23-13-16-26(2)17-14-23/h4-6,9-10,21,23H,1,7-8,11-20H2,2-3H3
InChIKeyHERWYPDHMSMIGU-UHFFFAOYSA-N
XLogP3.80
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42116162
3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42394249
3-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45192669
3-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45186883
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42360456
3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42594098
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25456108
N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine
CID 2845950
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45168903
2-[1-(1-methylpiperidin-4-yl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45180019

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide (CID 45169935) is N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide is C=CCOc1ccccc1CN1CCCC(CCC(=O)N(C)C2CCN(C)CC2)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is HERWYPDHMSMIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-4-18-30-24-10-6-5-9-22(24)20-28-15-7-8-21(19-28)11-12-25(29)27(3)23-13-16-26(2)17-14-23/h4-6,9-10,21,23H,1,7-8,11-20H2,2-3H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 413.61 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45169935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).