N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide

C25H28N2O3 — CID 4841525

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H28N2O3/c28-25(21-11-13-22(14-12-21)30-19-20-8-3-1-4-9-20)26-18-23(24-10-7-17-29-24)27-15-5-2-6-16-27/h1,3-4,7-14,17,23H,2,5-6,15-16,18-19H2,(H,26,28)
InChIKeyNSXMQMFKXJXGGX-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.82
Rot. Bonds8

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide (PubChem CID 4841525) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide
PubChem CID4841525
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H28N2O3/c28-25(21-11-13-22(14-12-21)30-19-20-8-3-1-4-9-20)26-18-23(24-10-7-17-29-24)27-15-5-2-6-16-27/h1,3-4,7-14,17,23H,2,5-6,15-16,18-19H2,(H,26,28)
InChIKeyNSXMQMFKXJXGGX-UHFFFAOYSA-N
XLogP4.82
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 17390945
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(phenoxymethyl)benzamide
CID 8001911
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55786680
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide (CID 4841525) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide is O=C(NCC(c1ccco1)N1CCCCC1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide?
The InChIKey is NSXMQMFKXJXGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c28-25(21-11-13-22(14-12-21)30-19-20-8-3-1-4-9-20)26-18-23(24-10-7-17-29-24)27-15-5-2-6-16-27/h1,3-4,7-14,17,23H,2,5-6,15-16,18-19H2,(H,26,28).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4841525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).