N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide

C23H30N2O4 — CID 171911317

IUPACN-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide
SMILESCC(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N(C)CC1CCNCC1
InChIInChI=1S/C23H30N2O4/c1-15(22(26)25(2)14-16-9-11-24-12-10-16)28-17-7-8-19-18-5-3-4-6-20(18)23(27)29-21(19)13-17/h7-8,13,15-16,24H,3-6,9-12,14H2,1-2H3
InChIKeyVWVXQDDUFBEEQQ-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.90
Rot. Bonds5

About N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide

N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide (PubChem CID 171911317) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide
PubChem CID171911317
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide
SMILESCC(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N(C)CC1CCNCC1
InChIInChI=1S/C23H30N2O4/c1-15(22(26)25(2)14-16-9-11-24-12-10-16)28-17-7-8-19-18-5-3-4-6-20(18)23(27)29-21(19)13-17/h7-8,13,15-16,24H,3-6,9-12,14H2,1-2H3
InChIKeyVWVXQDDUFBEEQQ-UHFFFAOYSA-N
XLogP2.90
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 171911753
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 171915051
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 171907768
2-[(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]propanoic acid
CID 23856862
N-[3-(dimethylamino)propyl]-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 4904178
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79700188
3-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]propanoic acid
CID 3798614
[(2R)-butan-2-yl] (2S)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoate
CID 7085278
3-[1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]oxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 171912583
4-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]butanoic acid
CID 3812431
N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 171913376
3-[1-oxo-1-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-2-yl]oxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 171911231

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide?
The IUPAC name of N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide (CID 171911317) is N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide?
The canonical SMILES for N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide is CC(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N(C)CC1CCNCC1.
What is the InChIKey of N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide?
The InChIKey is VWVXQDDUFBEEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-15(22(26)25(2)14-16-9-11-24-12-10-16)28-17-7-8-19-18-5-3-4-6-20(18)23(27)29-21(19)13-17/h7-8,13,15-16,24H,3-6,9-12,14H2,1-2H3.
What are the key properties of N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide?
N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide has a molecular weight of 398.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide is sourced from PubChem (CID 171911317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).