4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide

C23H33N3O2 — CID 141060502

IUPAC4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(NC2CCN(Cc3ccoc3)CC2)cc1)C(C)C
InChIInChI=1S/C23H33N3O2/c1-17(2)26(18(3)4)23(27)20-5-7-21(8-6-20)24-22-9-12-25(13-10-22)15-19-11-14-28-16-19/h5-8,11,14,16-18,22,24H,9-10,12-13,15H2,1-4H3
InChIKeyMAZBLKQADSFNFU-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.62
Rot. Bonds7

About 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide

4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide (PubChem CID 141060502) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide
PubChem CID141060502
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(NC2CCN(Cc3ccoc3)CC2)cc1)C(C)C
InChIInChI=1S/C23H33N3O2/c1-17(2)26(18(3)4)23(27)20-5-7-21(8-6-20)24-22-9-12-25(13-10-22)15-19-11-14-28-16-19/h5-8,11,14,16-18,22,24H,9-10,12-13,15H2,1-4H3
InChIKeyMAZBLKQADSFNFU-UHFFFAOYSA-N
XLogP4.62
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide with MolForge

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Related Compounds

N,N-di(propan-2-yl)-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide
CID 141060504
2-[4-(furan-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 65062356
N,N-diethyl-4-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide
CID 141072356
[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42382175
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
N-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 163327898
1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26341086
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42381634
N,N-diethyl-9-[1-(furan-3-ylmethyl)piperidin-4-yl]-9H-xanthene-3-carboxamide
CID 11655206
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 43683732
N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
CID 75472607

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide (CID 141060502) is 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(NC2CCN(Cc3ccoc3)CC2)cc1)C(C)C.
What is the InChIKey of 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide?
The InChIKey is MAZBLKQADSFNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-17(2)26(18(3)4)23(27)20-5-7-21(8-6-20)24-22-9-12-25(13-10-22)15-19-11-14-28-16-19/h5-8,11,14,16-18,22,24H,9-10,12-13,15H2,1-4H3.
What are the key properties of 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide?
4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide has a molecular weight of 383.54 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(furan-3-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 141060502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).