N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide

C22H33N3O3 — CID 19780199

IUPACN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NC2CCN(CC3CCCO3)CC2)c2c1CCO2
InChIInChI=1S/C22H33N3O3/c1-15(2)23-20-6-5-19(21-18(20)9-13-28-21)22(26)24-16-7-10-25(11-8-16)14-17-4-3-12-27-17/h5-6,15-17,23H,3-4,7-14H2,1-2H3,(H,24,26)
InChIKeyBTXRBRIZFURABC-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.82
Rot. Bonds6

About N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide

N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 19780199) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID19780199
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NC2CCN(CC3CCCO3)CC2)c2c1CCO2
InChIInChI=1S/C22H33N3O3/c1-15(2)23-20-6-5-19(21-18(20)9-13-28-21)22(26)24-16-7-10-25(11-8-16)14-17-4-3-12-27-17/h5-6,15-17,23H,3-4,7-14H2,1-2H3,(H,24,26)
InChIKeyBTXRBRIZFURABC-UHFFFAOYSA-N
XLogP2.82
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 118770888
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 125165824
4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172664709
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124855451
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172660412

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide (CID 19780199) is N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide is CC(C)Nc1ccc(C(=O)NC2CCN(CC3CCCO3)CC2)c2c1CCO2.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is BTXRBRIZFURABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-15(2)23-20-6-5-19(21-18(20)9-13-28-21)22(26)24-16-7-10-25(11-8-16)14-17-4-3-12-27-17/h5-6,15-17,23H,3-4,7-14H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-4-(propan-2-ylamino)-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 19780199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).