N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide

C24H32N2O3 — CID 51202160

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H32N2O3/c1-3-4-8-22-20(19-7-5-6-9-21(19)29-22)16-25(2)23(27)18-12-14-26(15-13-18)24(28)17-10-11-17/h5-7,9,17-18H,3-4,8,10-16H2,1-2H3
InChIKeyPPVTWHIJVCXWTC-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.38
Rot. Bonds7

About N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide

N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 51202160) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID51202160
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H32N2O3/c1-3-4-8-22-20(19-7-5-6-9-21(19)29-22)16-25(2)23(27)18-12-14-26(15-13-18)24(28)17-10-11-17/h5-7,9,17-18H,3-4,8,10-16H2,1-2H3
InChIKeyPPVTWHIJVCXWTC-UHFFFAOYSA-N
XLogP4.38
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide
CID 78808889
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55414324
1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 55687111
4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 60594549
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 78808885
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51111502
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31441477
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31441418
4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 55429671
(2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone
CID 167988124
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-[(2-butyl-1-benzofuran-3-yl)methyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide
CID 55580989

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide (CID 51202160) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide is CCCCc1oc2ccccc2c1CN(C)C(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is PPVTWHIJVCXWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-4-8-22-20(19-7-5-6-9-21(19)29-22)16-25(2)23(27)18-12-14-26(15-13-18)24(28)17-10-11-17/h5-7,9,17-18H,3-4,8,10-16H2,1-2H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 51202160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).