N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide

C24H33N3O2 — CID 119128408

IUPACN-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NCc2cccc(OCCCc3ccccc3)c2)CC1
InChIInChI=1S/C24H33N3O2/c1-25-24(28)19-27-14-12-22(13-15-27)26-18-21-9-5-11-23(17-21)29-16-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,17,22,26H,6,10,12-16,18-19H2,1H3,(H,25,28)
InChIKeyIOZJNEHHTWTTJX-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.00
Rot. Bonds10

About N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide

N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide (PubChem CID 119128408) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide
PubChem CID119128408
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NCc2cccc(OCCCc3ccccc3)c2)CC1
InChIInChI=1S/C24H33N3O2/c1-25-24(28)19-27-14-12-22(13-15-27)26-18-21-9-5-11-23(17-21)29-16-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,17,22,26H,6,10,12-16,18-19H2,1H3,(H,25,28)
InChIKeyIOZJNEHHTWTTJX-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
CID 119128369
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
1-[2-[(3-butoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907001
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
4-[[3-(3-methoxypropoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509883
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
2-[methyl-[1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042847
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159389
3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 62324920
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide (CID 119128408) is N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(NCc2cccc(OCCCc3ccccc3)c2)CC1.
What is the InChIKey of N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide?
The InChIKey is IOZJNEHHTWTTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-25-24(28)19-27-14-12-22(13-15-27)26-18-21-9-5-11-23(17-21)29-16-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,17,22,26H,6,10,12-16,18-19H2,1H3,(H,25,28).
What are the key properties of N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 119128408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).