2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide

C23H29N3O3 — CID 42847997

IUPAC2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1N1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C23H29N3O3/c27-22(17-6-1-2-7-17)25-18-11-13-26(14-12-18)21-10-4-3-9-20(21)23(28)24-16-19-8-5-15-29-19/h3-5,8-10,15,17-18H,1-2,6-7,11-14,16H2,(H,24,28)(H,25,27)
InChIKeyHVSRUWICXSBYSI-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.48
Rot. Bonds6

About 2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide

2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 42847997) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide
PubChem CID42847997
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1N1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C23H29N3O3/c27-22(17-6-1-2-7-17)25-18-11-13-26(14-12-18)21-10-4-3-9-20(21)23(28)24-16-19-8-5-15-29-19/h3-5,8-10,15,17-18H,1-2,6-7,11-14,16H2,(H,24,28)(H,25,27)
InChIKeyHVSRUWICXSBYSI-UHFFFAOYSA-N
XLogP3.48
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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)-2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]benzamide
CID 93324043
2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847952
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(cyclopropylmethyl)benzamide
CID 42848145
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
N-(furan-2-ylmethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165720
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 43075806
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide
CID 163345083

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide (CID 42847997) is 2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccccc1N1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of 2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is HVSRUWICXSBYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-22(17-6-1-2-7-17)25-18-11-13-26(14-12-18)21-10-4-3-9-20(21)23(28)24-16-19-8-5-15-29-19/h3-5,8-10,15,17-18H,1-2,6-7,11-14,16H2,(H,24,28)(H,25,27).
What are the key properties of 2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide?
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 42847997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).