N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide

C27H32FN3O5 — CID 70889913

IUPACN-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2(C(=O)NCC3CCN(c4cccc(F)c4C(=O)C(C)O)CC3)CC2)c1
InChIInChI=1S/C27H32FN3O5/c1-17(32)24(33)23-21(28)7-4-8-22(23)31-13-9-18(10-14-31)16-29-26(35)27(11-12-27)30-25(34)19-5-3-6-20(15-19)36-2/h3-8,15,17-18,32H,9-14,16H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyVYXBNGJJXUWGTJ-UHFFFAOYSA-N
MW497.57 g/mol
LogP2.69
Rot. Bonds9

About N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide

N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide (PubChem CID 70889913) has the molecular formula C27H32FN3O5 and a molecular weight of 497.57 g/mol. Its IUPAC name is N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide
PubChem CID70889913
Molecular FormulaC27H32FN3O5
Molecular Weight497.57 g/mol
Exact Mass497.23
IUPAC NameN-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2(C(=O)NCC3CCN(c4cccc(F)c4C(=O)C(C)O)CC3)CC2)c1
InChIInChI=1S/C27H32FN3O5/c1-17(32)24(33)23-21(28)7-4-8-22(23)31-13-9-18(10-14-31)16-29-26(35)27(11-12-27)30-25(34)19-5-3-6-20(15-19)36-2/h3-8,15,17-18,32H,9-14,16H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyVYXBNGJJXUWGTJ-UHFFFAOYSA-N
XLogP2.69
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide
CID 70889676
N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
CID 70889938
N-[1-[[1-[3-chloro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 70889857
methyl 2-fluoro-6-[4-[[[1-(pyridine-4-carbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]benzoate
CID 46215482
methyl 2-[4-[[[1-[[(2,4-dimethylpyrimidin-5-yl)-hydroxymethyl]amino]cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]-6-fluorobenzoate
CID 90816009
methyl 2-chloro-6-[4-[[[1-(1,2-oxazole-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]benzoate
CID 46214149
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
N-[1-[[1-[5-chloro-2-[hydroxy(methoxy)methyl]phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 90762626
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
methyl 2-[4-[[[1-[[(E)-3-amino-2-(ethenyliminomethyl)prop-2-enoyl]amino]cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]-6-methoxybenzoate
CID 89070281
N-[[1-[2-(1-aminoethyl)-3-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736475
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide?
The IUPAC name of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide (CID 70889913) is N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide is COc1cccc(C(=O)NC2(C(=O)NCC3CCN(c4cccc(F)c4C(=O)C(C)O)CC3)CC2)c1.
What is the InChIKey of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide?
The InChIKey is VYXBNGJJXUWGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O5/c1-17(32)24(33)23-21(28)7-4-8-22(23)31-13-9-18(10-14-31)16-29-26(35)27(11-12-27)30-25(34)19-5-3-6-20(15-19)36-2/h3-8,15,17-18,32H,9-14,16H2,1-2H3,(H,29,35)(H,30,34).
What are the key properties of N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide?
N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide has a molecular weight of 497.57 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]-3-methoxybenzamide is sourced from PubChem (CID 70889913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).