N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide

C23H31N3O3 — CID 42848287

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide
SMILESCC(C)CC(=O)NC1CCN(c2ccccc2C(=O)N(C)Cc2ccco2)CC1
InChIInChI=1S/C23H31N3O3/c1-17(2)15-22(27)24-18-10-12-26(13-11-18)21-9-5-4-8-20(21)23(28)25(3)16-19-7-6-14-29-19/h4-9,14,17-18H,10-13,15-16H2,1-3H3,(H,24,27)
InChIKeyPIMUSLPAESGQHP-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.68
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide

N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide (PubChem CID 42848287) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide
PubChem CID42848287
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide
SMILESCC(C)CC(=O)NC1CCN(c2ccccc2C(=O)N(C)Cc2ccco2)CC1
InChIInChI=1S/C23H31N3O3/c1-17(2)15-22(27)24-18-10-12-26(13-11-18)21-9-5-4-8-20(21)23(28)25(3)16-19-7-6-14-29-19/h4-9,14,17-18H,10-13,15-16H2,1-3H3,(H,24,27)
InChIKeyPIMUSLPAESGQHP-UHFFFAOYSA-N
XLogP3.68
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 46038156
2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
CID 46038155
2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46037280
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
N-(furan-2-ylmethyl)-2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]benzamide
CID 93324043
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 42847997
N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
CID 46038163
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848440
N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140857
N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 31365525
N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038653

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide (CID 42848287) is N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide is CC(C)CC(=O)NC1CCN(c2ccccc2C(=O)N(C)Cc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide?
The InChIKey is PIMUSLPAESGQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17(2)15-22(27)24-18-10-12-26(13-11-18)21-9-5-4-8-20(21)23(28)25(3)16-19-7-6-14-29-19/h4-9,14,17-18H,10-13,15-16H2,1-3H3,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide?
N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 42848287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).